Chlorine in PDB 3znj: Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.

The structure of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1., PDB code: 3znj was solved by C.Roth, J.A.D.Groening, S.R.Kaschabek, M.Schloemann, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.898 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	151.140, 79.430, 198.970, 90.00, 93.41, 90.00
R / Rfree (%)	16.41 / 22.35

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. (pdb code 3znj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 40 binding sites of Chlorine where determined in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1., PDB code: 3znj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 40 in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl1095 b:29.4 occ:1.00 HE2 Z:HIS87 2.4 34.1 1.0 HD21 1:ASN52 2.5 34.4 1.0 O2 1:EDO1097 3.0 27.3 1.0 HH12 1:ARG45 3.1 63.3 1.0 HO2 1:EDO1097 3.1 32.8 1.0 HB3 1:ASN52 3.2 25.5 1.0 NE2 Z:HIS87 3.2 28.4 1.0 HA2 1:GLY51 3.2 53.4 1.0 O 1:GLY51 3.3 32.9 1.0 ND2 1:ASN52 3.3 28.7 1.0 O 1:HOH2044 3.4 38.7 1.0 C 1:GLY51 3.5 49.6 1.0 HG22 1:VAL9 3.5 40.0 1.0 HE1 Z:HIS87 3.7 41.4 1.0 H21 1:EDO1097 3.7 33.1 1.0 H12 1:EDO1097 3.8 34.5 1.0 CA 1:GLY51 3.8 44.5 1.0 CE1 Z:HIS87 3.8 34.5 1.0 NH1 1:ARG45 3.8 52.8 1.0 HD22 1:ASN52 3.8 34.4 1.0 C2 1:EDO1097 3.9 27.6 1.0 HE2 1:PHE73 3.9 45.8 1.0 CB 1:ASN52 4.0 21.2 1.0 N 1:ASN52 4.1 30.6 1.0 HG21 1:VAL9 4.1 40.0 1.0 CG2 1:VAL9 4.1 33.3 1.0 HH11 1:ARG45 4.1 63.3 1.0 CG 1:ASN52 4.2 40.8 1.0 HD2 1:PHE73 4.3 43.0 1.0 HE1 1:TYR50 4.3 76.0 1.0 HG23 1:VAL9 4.3 40.0 1.0 C1 1:EDO1097 4.3 28.7 1.0 HH22 1:ARG45 4.3 77.0 1.0 CD2 Z:HIS87 4.4 35.7 1.0 H 1:ASN52 4.5 36.8 1.0 H 1:GLY51 4.5 42.4 1.0 N 1:GLY51 4.5 35.3 1.0 HA3 1:GLY51 4.6 53.4 1.0 CE2 1:PHE73 4.6 38.2 1.0 CA 1:ASN52 4.6 33.4 1.0 HD2 Z:HIS87 4.7 42.9 1.0 HB2 1:ASN52 4.7 25.5 1.0 CZ 1:ARG45 4.8 43.6 1.0 CE1 1:TYR50 4.8 63.4 1.0 CD2 1:PHE73 4.8 35.8 1.0 H22 1:EDO1097 4.8 33.1 1.0 HD1 1:TYR50 4.8 57.1 1.0 NH2 1:ARG45 4.9 64.2 1.0 O1 1:EDO1097 4.9 28.8 1.0 HD12 1:LEU43 4.9 33.5 1.0 HB2 1:MET7 5.0 24.4 1.0 HA 1:ASN52 5.0 40.1 1.0

Chlorine binding site 2 out of 40 in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ 2:Cl1094 b:29.5 occ:1.00 HE2 3:HIS87 2.4 36.3 1.0 HD21 2:ASN52 2.6 27.3 1.0 HA2 2:GLY51 2.8 38.3 1.0 HB3 2:ASN52 3.2 30.0 1.0 NE2 3:HIS87 3.2 30.3 1.0 O2 2:EDO1096 3.3 28.9 1.0 H21 2:EDO1096 3.3 35.7 1.0 HH12 2:ARG45 3.3 46.6 1.0 C 2:GLY51 3.4 36.3 1.0 O 2:GLY51 3.4 29.2 1.0 ND2 2:ASN52 3.4 22.7 1.0 O 2:HOH2010 3.4 36.8 1.0 HG22 2:VAL9 3.5 38.1 1.0 H12 2:EDO1096 3.5 36.3 1.0 HO2 2:EDO1096 3.5 34.7 1.0 CA 2:GLY51 3.5 31.9 1.0 HH11 2:ARG45 3.7 46.6 1.0 C2 2:EDO1096 3.7 29.8 1.0 HE1 3:HIS87 3.8 43.1 1.0 NH1 2:ARG45 3.9 38.8 1.0 CE1 3:HIS87 3.9 36.0 1.0 HD22 2:ASN52 3.9 27.3 1.0 H 2:GLY51 3.9 41.1 1.0 N 2:ASN52 4.0 24.0 1.0 CB 2:ASN52 4.0 25.0 1.0 HG21 2:VAL9 4.1 38.1 1.0 HE2 2:PHE73 4.1 47.0 1.0 CG2 2:VAL9 4.1 31.7 1.0 C1 2:EDO1096 4.1 30.3 1.0 N 2:GLY51 4.2 34.2 1.0 CG 2:ASN52 4.2 32.5 1.0 HG23 2:VAL9 4.3 38.1 1.0 HA3 2:GLY51 4.3 38.3 1.0 HD2 2:PHE73 4.3 51.3 1.0 H 2:ASN52 4.3 28.8 1.0 CD2 3:HIS87 4.4 31.6 1.0 HD2 3:HIS87 4.6 37.9 1.0 CA 2:ASN52 4.6 31.1 1.0 HD12 2:LEU43 4.7 33.8 1.0 H22 2:EDO1096 4.7 35.7 1.0 HB2 2:ASN52 4.7 30.0 1.0 CE2 2:PHE73 4.8 39.2 1.0 H11 2:EDO1096 4.8 36.3 1.0 HE1 2:TYR50 4.9 56.5 1.0 O 2:HOH2059 4.9 28.9 1.0 CD2 2:PHE73 4.9 42.8 1.0 HB2 2:MET7 4.9 29.7 1.0 HA 2:ASN52 5.0 37.3 1.0

Chlorine binding site 3 out of 40 in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ 3:Cl1095 b:37.2 occ:1.00 HE2 2:HIS87 2.4 28.4 1.0 HO2 3:EDO1096 2.5 42.7 1.0 HD21 3:ASN52 2.6 28.9 1.0 H21 3:EDO1096 2.8 44.5 1.0 HH12 3:ARG45 2.9 52.1 1.0 O2 3:EDO1096 3.2 35.6 1.0 HB3 3:ASN52 3.2 28.8 1.0 O 3:HOH2038 3.2 36.9 1.0 NE2 2:HIS87 3.2 23.6 1.0 ND2 3:ASN52 3.4 24.1 1.0 C2 3:EDO1096 3.5 37.1 1.0 HA2 3:GLY51 3.5 41.5 1.0 HG22 3:VAL9 3.5 45.0 1.0 NH1 3:ARG45 3.5 43.4 1.0 HH11 3:ARG45 3.7 52.1 1.0 HE1 2:HIS87 3.7 46.0 1.0 CE1 2:HIS87 3.9 38.4 1.0 H22 3:EDO1096 3.9 44.5 1.0 HD22 3:ASN52 3.9 28.9 1.0 HG21 3:VAL9 4.0 45.0 1.0 C 3:GLY51 4.0 49.0 1.0 CB 3:ASN52 4.0 24.0 1.0 N 3:ASN52 4.1 45.2 1.0 CG2 3:VAL9 4.1 37.5 1.0 CA 3:GLY51 4.2 34.6 1.0 HE2 3:PHE73 4.2 33.4 1.0 H 3:ASN52 4.2 54.3 1.0 CG 3:ASN52 4.2 34.6 1.0 HG23 3:VAL9 4.3 45.0 1.0 O 3:GLY51 4.4 41.0 1.0 HE1 3:TYR50 4.4 48.0 1.0 CD2 2:HIS87 4.4 23.9 1.0 HD2 3:PHE73 4.4 45.3 1.0 HH22 3:ARG45 4.5 47.8 1.0 HD2 2:HIS87 4.6 28.7 1.0 CZ 3:ARG45 4.6 43.3 1.0 CA 3:ASN52 4.7 44.0 1.0 N 3:GLY51 4.7 34.9 1.0 HB2 3:ASN52 4.8 28.8 1.0 C1 3:EDO1096 4.8 39.8 1.0 HD12 3:LEU43 4.8 29.0 1.0 HD1 3:TYR50 4.8 45.0 1.0 H 3:GLY51 4.8 41.9 1.0 O1 3:EDO1096 4.9 39.3 1.0 CE2 3:PHE73 4.9 27.8 1.0 HA3 3:GLY51 4.9 41.5 1.0 NH2 3:ARG45 5.0 39.8 1.0 CE1 3:TYR50 5.0 40.0 1.0

Chlorine binding site 4 out of 40 in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ 4:Cl1095 b:34.3 occ:1.00 HE2 5:HIS87 2.3 40.6 1.0 HD21 4:ASN52 2.6 44.3 1.0 HO2 4:EDO1097 2.8 44.6 1.0 HB3 4:ASN52 2.8 34.4 1.0 O2 4:EDO1097 3.0 37.2 1.0 HH22 4:ARG45 3.0 67.2 1.0 NE2 5:HIS87 3.1 33.8 1.0 O 4:GLY51 3.5 39.0 1.0 ND2 4:ASN52 3.5 36.9 1.0 H22 4:EDO1097 3.5 45.8 1.0 HH12 4:ARG45 3.5 88.4 1.0 NH2 4:ARG45 3.6 56.0 1.0 C 4:GLY51 3.7 50.9 1.0 HA2 4:GLY51 3.7 86.9 1.0 CB 4:ASN52 3.8 28.7 1.0 HG22 4:VAL9 3.8 39.6 1.0 C2 4:EDO1097 3.8 38.1 1.0 HE1 5:HIS87 3.8 35.0 1.0 CE1 5:HIS87 3.9 29.1 1.0 NH1 4:ARG45 4.0 73.7 1.0 HD22 4:ASN52 4.0 44.3 1.0 HE2 4:PHE73 4.1 49.4 1.0 HH21 4:ARG45 4.1 67.2 1.0 N 4:ASN52 4.1 42.1 1.0 CG 4:ASN52 4.1 40.0 1.0 CZ 4:ARG45 4.2 47.4 1.0 CA 4:GLY51 4.2 72.4 1.0 CD2 5:HIS87 4.2 34.6 1.0 HG21 4:VAL9 4.2 39.6 1.0 H12 4:EDO1097 4.3 49.2 1.0 CG2 4:VAL9 4.4 33.0 1.0 HB2 4:ASN52 4.4 34.4 1.0 HD2 4:PHE73 4.4 40.2 1.0 HD2 5:HIS87 4.4 41.5 1.0 HE1 4:TYR50 4.5 61.8 1.0 CA 4:ASN52 4.5 25.4 1.0 H 4:ASN52 4.5 50.5 1.0 HG23 4:VAL9 4.5 39.6 1.0 C1 4:EDO1097 4.6 41.0 1.0 HD12 4:LEU43 4.6 35.6 1.0 H21 4:EDO1097 4.6 45.8 1.0 HH11 4:ARG45 4.7 88.4 1.0 CE2 4:PHE73 4.8 41.2 1.0 HA 4:ASN52 4.8 30.4 1.0 N 4:GLY51 4.9 35.2 1.0 O1 4:EDO1097 4.9 42.2 1.0 CE1 4:TYR50 4.9 51.5 1.0 CD2 4:PHE73 5.0 33.5 1.0 HB2 4:MET7 5.0 32.3 1.0

Chlorine binding site 5 out of 40 in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ 5:Cl1093 b:34.1 occ:1.00 HD21 5:ASN52 2.4 27.3 1.0 HE2 4:HIS87 2.6 38.1 1.0 HH22 5:ARG45 3.0 75.4 1.0 HB3 5:ASN52 3.2 34.2 1.0 O1 5:EDO1094 3.3 38.1 1.0 ND2 5:ASN52 3.3 22.7 1.0 HA2 5:GLY51 3.4 68.5 1.0 NE2 4:HIS87 3.4 31.8 1.0 HG22 5:VAL9 3.5 39.2 1.0 HO1 5:EDO1094 3.5 45.7 1.0 H21 5:EDO1094 3.6 47.6 1.0 HH12 5:ARG45 3.7 68.4 1.0 O 5:GLY51 3.7 29.9 1.0 HD22 5:ASN52 3.7 27.3 1.0 C 5:GLY51 3.8 71.7 1.0 NH2 5:ARG45 3.8 62.8 1.0 HG21 5:VAL9 3.8 39.2 1.0 H11 5:EDO1094 3.9 45.4 1.0 CA 5:GLY51 4.0 57.1 1.0 CB 5:ASN52 4.0 28.5 1.0 C1 5:EDO1094 4.0 37.8 1.0 CG2 5:VAL9 4.0 32.7 1.0 CG 5:ASN52 4.1 32.9 1.0 HE1 5:TYR50 4.2 63.6 1.0 HE1 4:HIS87 4.2 58.7 1.0 HG23 5:VAL9 4.2 39.2 1.0 CE1 4:HIS87 4.2 48.9 1.0 HH21 5:ARG45 4.2 75.4 1.0 N 5:ASN52 4.3 28.0 1.0 C2 5:EDO1094 4.3 39.7 1.0 NH1 5:ARG45 4.3 57.0 1.0 HE2 5:PHE73 4.4 53.2 1.0 CD2 4:HIS87 4.4 58.3 1.0 HD2 5:PHE73 4.5 38.2 1.0 CZ 5:ARG45 4.5 32.2 1.0 HD1 5:TYR50 4.5 56.1 1.0 HD2 4:HIS87 4.6 69.9 1.0 H 5:ASN52 4.6 33.6 1.0 N 5:GLY51 4.6 39.6 1.0 HB2 5:ASN52 4.7 34.2 1.0 CA 5:ASN52 4.8 26.6 1.0 HD12 5:LEU43 4.8 31.0 1.0 CE1 5:TYR50 4.8 53.0 1.0 H 5:GLY51 4.8 47.6 1.0 HA3 5:GLY51 4.8 68.5 1.0 HB2 5:MET7 4.9 34.0 1.0 CD1 5:TYR50 5.0 46.8 1.0

Chlorine binding site 6 out of 40 in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ 6:Cl1095 b:36.4 occ:1.00 HE2 7:HIS87 2.4 42.3 1.0 HD21 6:ASN52 2.6 28.7 1.0 HH12 6:ARG45 2.9 37.2 1.0 HB3 6:ASN52 3.1 37.6 1.0 O2 6:EDO1096 3.2 25.7 1.0 NE2 7:HIS87 3.2 35.2 1.0 HO2 6:EDO1096 3.3 30.8 1.0 H21 6:EDO1096 3.4 32.5 1.0 ND2 6:ASN52 3.4 23.9 1.0 HG22 6:VAL9 3.6 32.3 1.0 NH1 6:ARG45 3.6 31.0 1.0 H12 6:EDO1096 3.7 32.5 1.0 C2 6:EDO1096 3.8 27.1 1.0 HE1 7:HIS87 3.8 40.0 1.0 CE1 7:HIS87 3.9 33.3 1.0 HH22 6:ARG45 3.9 63.8 1.0 HD22 6:ASN52 3.9 28.7 1.0 CB 6:ASN52 4.0 31.3 1.0 HE1 6:TYR50 4.0 52.6 1.0 O 6:GLY51 4.0 44.0 1.0 HH11 6:ARG45 4.0 37.2 1.0 HG21 6:VAL9 4.0 32.3 1.0 HA2 6:GLY51 4.0 53.3 1.0 C 6:GLY51 4.1 51.1 1.0 HE2 6:PHE73 4.1 58.1 1.0 CG2 6:VAL9 4.2 26.9 1.0 CG 6:ASN52 4.2 34.5 1.0 C1 6:EDO1096 4.3 27.1 1.0 HG23 6:VAL9 4.3 32.3 1.0 CD2 7:HIS87 4.4 31.7 1.0 HD1 6:TYR50 4.4 44.1 1.0 HD2 6:PHE73 4.4 40.1 1.0 N 6:ASN52 4.4 33.6 1.0 NH2 6:ARG45 4.5 53.2 1.0 CZ 6:ARG45 4.5 30.2 1.0 CA 6:GLY51 4.5 44.4 1.0 HB2 6:ASN52 4.6 37.6 1.0 HD2 7:HIS87 4.6 38.1 1.0 HD12 6:LEU43 4.7 29.0 1.0 H22 6:EDO1096 4.8 32.5 1.0 CE1 6:TYR50 4.8 43.9 1.0 H 6:ASN52 4.8 40.3 1.0 CA 6:ASN52 4.8 31.0 1.0 CE2 6:PHE73 4.9 48.5 1.0 N 6:GLY51 4.9 27.0 1.0 HG3 6:ARG45 5.0 59.0 1.0 H 6:GLY51 5.0 32.4 1.0 CD1 6:TYR50 5.0 36.7 1.0

Chlorine binding site 7 out of 40 in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ 7:Cl1093 b:34.9 occ:1.00 HE2 6:HIS87 2.5 38.7 1.0 HD21 7:ASN52 2.6 30.8 1.0 HH21 7:ARG45 2.9 49.0 1.0 HA2 7:GLY51 2.9 61.6 1.0 O1 7:EDO1095 3.1 31.6 1.0 HB3 7:ASN52 3.1 26.3 1.0 NE2 6:HIS87 3.3 32.3 1.0 HO1 7:EDO1095 3.3 37.9 1.0 H11 7:EDO1095 3.4 37.9 1.0 ND2 7:ASN52 3.5 25.7 1.0 C 7:GLY51 3.5 54.5 1.0 NH2 7:ARG45 3.5 40.9 1.0 H21 7:EDO1095 3.5 39.3 1.0 HH22 7:ARG45 3.5 49.0 1.0 CA 7:GLY51 3.6 51.4 1.0 O 7:GLY51 3.6 39.3 1.0 C1 7:EDO1095 3.7 31.6 1.0 HG22 7:VAL9 3.7 49.2 1.0 HE1 6:HIS87 3.9 36.7 1.0 H 7:GLY51 3.9 51.6 1.0 N 7:ASN52 4.0 36.7 1.0 CB 7:ASN52 4.0 21.9 1.0 CE1 6:HIS87 4.0 30.6 1.0 HD22 7:ASN52 4.0 30.8 1.0 HE2 7:PHE73 4.1 49.5 1.0 C2 7:EDO1095 4.1 32.8 1.0 N 7:GLY51 4.2 43.0 1.0 HG21 7:VAL9 4.2 49.2 1.0 CG 7:ASN52 4.2 26.0 1.0 H 7:ASN52 4.3 44.1 1.0 CG2 7:VAL9 4.4 41.0 1.0 HA3 7:GLY51 4.4 61.6 1.0 HD2 7:PHE73 4.4 62.4 1.0 CD2 6:HIS87 4.4 24.4 1.0 CA 7:ASN52 4.6 21.8 1.0 HG23 7:VAL9 4.6 49.2 1.0 HD2 6:HIS87 4.7 29.2 1.0 HE1 7:TYR50 4.7 61.2 1.0 HE 7:ARG45 4.7 51.5 1.0 HB2 7:ASN52 4.7 26.3 1.0 CZ 7:ARG45 4.7 54.4 1.0 H12 7:EDO1095 4.7 37.9 1.0 HD12 7:LEU43 4.7 46.8 1.0 CE2 7:PHE73 4.8 41.2 1.0 O 7:HOH2041 4.9 38.7 1.0 O2 7:EDO1095 4.9 34.4 1.0 CE1 7:TYR50 4.9 51.0 1.0 HA 7:ASN52 4.9 26.2 1.0 CD2 7:PHE73 5.0 52.0 1.0 HB2 7:MET7 5.0 43.0 1.0 HD1 7:TYR50 5.0 53.4 1.0 H22 7:EDO1095 5.0 39.3 1.0

Chlorine binding site 8 out of 40 in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ 8:Cl1095 b:39.7 occ:1.00 HE2 9:HIS87 2.4 38.2 1.0 HD21 8:ASN52 2.5 33.2 1.0 HH12 8:ARG45 2.8 47.7 1.0 HB3 8:ASN52 3.0 33.6 1.0 H12 8:EDO1097 3.1 37.3 1.0 NE2 9:HIS87 3.2 31.9 1.0 O 8:HOH2039 3.3 43.5 1.0 O1 8:EDO1097 3.4 32.5 1.0 ND2 8:ASN52 3.4 27.7 1.0 HO1 8:EDO1097 3.4 38.9 1.0 NH1 8:ARG45 3.5 39.7 1.0 HA2 8:GLY51 3.5 57.6 1.0 HG22 8:VAL9 3.6 42.8 1.0 HH11 8:ARG45 3.6 47.7 1.0 H22 8:EDO1097 3.7 39.9 1.0 C1 8:EDO1097 3.7 31.1 1.0 HG21 8:VAL9 3.8 42.8 1.0 C 8:GLY51 3.9 37.8 1.0 CB 8:ASN52 3.9 28.0 1.0 HD22 8:ASN52 3.9 33.2 1.0 HE1 9:HIS87 4.0 36.3 1.0 O 8:GLY51 4.0 39.1 1.0 CE1 9:HIS87 4.0 30.2 1.0 CG2 8:VAL9 4.1 35.6 1.0 CA 8:GLY51 4.1 48.0 1.0 N 8:ASN52 4.1 30.6 1.0 CG 8:ASN52 4.2 38.8 1.0 HE1 8:TYR50 4.2 50.6 1.0 CD2 9:HIS87 4.3 36.6 1.0 C2 8:EDO1097 4.3 33.2 1.0 HG23 8:VAL9 4.4 42.8 1.0 HD2 9:HIS87 4.4 43.9 1.0 H 8:ASN52 4.4 36.8 1.0 HE2 8:PHE73 4.5 51.2 1.0 HD2 8:PHE73 4.5 46.4 1.0 HB2 8:ASN52 4.6 33.6 1.0 HH22 8:ARG45 4.6 62.9 1.0 HD1 8:TYR50 4.6 61.9 1.0 N 8:GLY51 4.6 27.0 1.0 CZ 8:ARG45 4.6 61.3 1.0 CA 8:ASN52 4.6 28.1 1.0 H11 8:EDO1097 4.6 37.3 1.0 H 8:GLY51 4.7 32.4 1.0 HD12 8:LEU43 4.7 42.8 1.0 HB2 8:MET7 4.8 44.0 1.0 CE1 8:TYR50 4.9 42.1 1.0 HA3 8:GLY51 4.9 57.6 1.0 H21 8:EDO1097 5.0 39.9 1.0

Chlorine binding site 9 out of 40 in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ 9:Cl1094 b:32.3 occ:1.00 HE2 8:HIS87 2.3 35.6 1.0 HD21 9:ASN52 2.6 29.8 1.0 HB3 9:ASN52 3.0 32.5 1.0 NE2 8:HIS87 3.1 29.7 1.0 O 9:HOH2028 3.1 34.6 1.0 HA2 9:GLY51 3.2 34.7 1.0 O1 9:EDO1096 3.2 29.5 1.0 HH12 9:ARG45 3.3 44.1 1.0 H21 9:EDO1096 3.3 39.9 1.0 HH11 9:ARG45 3.4 44.1 1.0 H11 9:EDO1096 3.4 36.8 1.0 ND2 9:ASN52 3.4 24.8 1.0 HO1 9:EDO1096 3.5 35.4 1.0 O 9:GLY51 3.5 34.1 1.0 HE1 8:HIS87 3.5 47.0 1.0 C 9:GLY51 3.5 50.0 1.0 HG22 9:VAL9 3.5 54.9 1.0 NH1 9:ARG45 3.6 36.7 1.0 CE1 8:HIS87 3.7 39.1 1.0 C1 9:EDO1096 3.7 30.6 1.0 CA 9:GLY51 3.7 28.9 1.0 H 9:GLY51 3.9 48.3 1.0 CB 9:ASN52 3.9 27.1 1.0 N 9:ASN52 4.0 22.8 1.0 HD22 9:ASN52 4.0 29.8 1.0 HG21 9:VAL9 4.0 54.9 1.0 C2 9:EDO1096 4.0 33.2 1.0 CG2 9:VAL9 4.1 45.7 1.0 CG 9:ASN52 4.2 42.5 1.0 HE2 9:PHE73 4.2 36.0 1.0 N 9:GLY51 4.3 40.2 1.0 CD2 8:HIS87 4.3 31.0 1.0 HD2 9:PHE73 4.3 45.6 1.0 HG23 9:VAL9 4.3 54.9 1.0 H 9:ASN52 4.3 27.3 1.0 CA 9:ASN52 4.5 26.6 1.0 HE1 9:TYR50 4.6 61.7 1.0 HB2 9:ASN52 4.6 32.5 1.0 HD2 8:HIS87 4.6 37.1 1.0 HA3 9:GLY51 4.6 34.7 1.0 H22 9:EDO1096 4.7 39.9 1.0 H12 9:EDO1096 4.7 36.8 1.0 O 9:HOH2050 4.8 28.5 1.0 HD12 9:LEU43 4.8 26.9 1.0 CE2 9:PHE73 4.8 30.0 1.0 HA 9:ASN52 4.9 31.9 1.0 CD2 9:PHE73 4.9 38.0 1.0 CZ 9:ARG45 4.9 42.6 1.0 ND1 8:HIS87 4.9 33.6 1.0 HB2 9:MET7 4.9 27.2 1.0 HD3 9:ARG45 4.9 53.0 1.0 CE1 9:TYR50 4.9 51.4 1.0 HD1 9:TYR50 5.0 46.4 1.0 O2 9:EDO1096 5.0 34.3 1.0

Chlorine binding site 10 out of 40 in the Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Unliganded Clcf From R.Opacus 1CP in Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1095 b:23.2 occ:1.00 HE2 B:HIS87 2.4 26.2 1.0 HD21 A:ASN52 2.5 26.5 1.0 HH12 A:ARG45 3.0 31.0 1.0 NE2 B:HIS87 3.2 21.9 1.0 HB3 A:ASN52 3.2 21.5 1.0 O A:HOH2039 3.2 36.8 1.0 O1 A:EDO1097 3.2 20.7 1.0 H11 A:EDO1097 3.3 30.3 1.0 H22 A:EDO1097 3.4 30.2 1.0 ND2 A:ASN52 3.4 22.1 1.0 HO1 A:EDO1097 3.4 24.8 1.0 HG22 A:VAL9 3.5 34.7 1.0 NH1 A:ARG45 3.6 25.8 1.0 HA2 A:GLY51 3.6 48.4 1.0 HH11 A:ARG45 3.7 31.0 1.0 C1 A:EDO1097 3.7 25.2 1.0 HE1 B:HIS87 3.7 36.8 1.0 CE1 B:HIS87 3.8 30.7 1.0 HG21 A:VAL9 3.9 34.7 1.0 HD22 A:ASN52 3.9 26.5 1.0 C A:GLY51 4.0 74.0 1.0 C2 A:EDO1097 4.0 25.2 1.0 CB A:ASN52 4.1 17.9 1.0 CG2 A:VAL9 4.1 28.9 1.0 HE2 A:PHE73 4.2 35.8 1.0 O A:GLY51 4.2 24.1 1.0 HE1 A:TYR50 4.2 45.5 1.0 CG A:ASN52 4.2 31.2 1.0 N A:ASN52 4.2 25.0 1.0 CA A:GLY51 4.2 40.3 1.0 CD2 B:HIS87 4.3 24.7 1.0 HG23 A:VAL9 4.3 34.7 1.0 HD2 A:PHE73 4.4 28.2 1.0 H A:ASN52 4.5 30.1 1.0 HD2 B:HIS87 4.6 29.6 1.0 HD1 A:TYR50 4.7 26.4 1.0 H21 A:EDO1097 4.7 30.2 1.0 H12 A:EDO1097 4.7 30.3 1.0 HB2 A:ASN52 4.7 21.5 1.0 HD12 A:LEU43 4.8 26.1 1.0 CA A:ASN52 4.8 17.8 1.0 N A:GLY51 4.8 30.2 1.0 H A:GLY51 4.8 36.3 1.0 CZ A:ARG45 4.8 32.7 1.0 HH22 A:ARG45 4.8 40.9 1.0 CE2 A:PHE73 4.8 29.9 1.0 CE1 A:TYR50 4.8 38.0 1.0 HB2 A:MET7 4.9 21.4 1.0 CD2 A:PHE73 4.9 23.5 1.0 O A:HOH2154 5.0 23.3 1.0

C.Roth, A.D.Janosch, S.R.Kaschabek, M.Schloemann, N.Straeter. Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf From Rhodococcus Opacus 1CP. Mol.Microbiol. V. 88 254 2013.
ISSN: ISSN 0950-382X
PubMed: 23421784
DOI: 10.1111/MMI.12182