Chlorine in PDB 4a7d: X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure

Enzymatic activity of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure

All present enzymatic activity of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure:
3.2.1.17;

Protein crystallography data

The structure of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure, PDB code: 4a7d was solved by A.Burkhardt, M.Warmer, S.Panneerselvam, A.Wagner, R.Reimer, H.Hohenberg, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.305 / 1.50
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.222, 77.222, 37.007, 90.00, 90.00, 90.00
R / Rfree (%) 17.52 / 20.34

Other elements in 4a7d:

The structure of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure (pdb code 4a7d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure, PDB code: 4a7d:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4a7d

Go back to Chlorine Binding Sites List in 4a7d
Chlorine binding site 1 out of 9 in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1130

b:23.1
occ:1.00
 HH A:TYR23 2.8 20.7 1.0
OH A:TYR23 2.9 17.2 1.0
HE2 A:TYR23 3.1 16.3 1.0
HA3 A:GLY104 3.4 19.9 1.0
CE2 A:TYR23 3.6 13.6 1.0
CZ A:TYR23 3.6 15.4 1.0
HA2 A:GLY104 4.1 19.9 1.0
CA A:GLY104 4.2 16.5 1.0
O A:ARG21 4.5 23.5 1.0
H A:MET105 4.7 18.0 1.0
HB3 A:ARG21 4.7 23.3 1.0
N A:GLY104 4.8 17.6 1.0
CE1 A:TYR23 4.8 13.4 1.0
CD2 A:TYR23 4.8 15.4 1.0

Chlorine binding site 2 out of 9 in 4a7d

Go back to Chlorine Binding Sites List in 4a7d
Chlorine binding site 2 out of 9 in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1131

b:16.8
occ:1.00
 H A:THR69 2.4 15.9 1.0
O A:HOH2105 3.0 12.0 1.0
O A:HOH2113 3.1 22.0 1.0
H A:GLY67 3.2 16.5 1.0
HA2 A:GLY67 3.2 16.9 1.0
O A:HOH2119 3.2 19.8 1.0
N A:THR69 3.3 13.3 1.0
HG A:SER72 3.3 22.6 1.0
O A:HOH2108 3.3 26.7 1.0
HD21 A:ASN65 3.3 17.4 1.0
HD22 A:ASN65 3.4 17.4 1.0
O A:THR69 3.4 16.2 1.0
H A:ARG68 3.4 17.7 1.0
OG A:SER72 3.5 18.8 1.0
N A:ARG68 3.5 14.8 1.0
C A:GLY67 3.6 15.2 1.0
CA A:GLY67 3.6 14.1 1.0
N A:GLY67 3.6 13.7 1.0
C A:THR69 3.7 15.4 1.0
ND2 A:ASN65 3.7 14.5 1.0
HB A:THR69 3.7 17.5 1.0
CA A:THR69 3.9 14.0 1.0
O A:HOH2107 3.9 15.6 1.0
H A:ASP66 4.1 15.7 1.0
O A:GLY67 4.2 17.8 1.0
OD1 A:ASP66 4.3 11.7 1.0
C A:ARG68 4.3 14.3 1.0
CB A:THR69 4.3 14.6 1.0
HA A:PRO70 4.3 21.3 1.0
CA A:ARG68 4.4 14.5 1.0
N A:PRO70 4.4 16.2 1.0
HG1 A:THR69 4.4 15.9 1.0
HA3 A:GLY67 4.5 16.9 1.0
HA A:ARG68 4.5 17.4 1.0
O A:HOH2048 4.6 31.7 1.0
H A:SER72 4.6 22.9 1.0
NA A:NA1139 4.6 15.2 1.0
C A:ASP66 4.7 12.5 1.0
HA A:ASN65 4.8 15.6 1.0
HA A:THR69 4.8 16.7 1.0
CB A:SER72 4.8 21.5 1.0
N A:ASP66 4.8 13.1 1.0
CA A:PRO70 4.8 17.8 1.0
O A:HOH2115 4.9 19.7 0.5
OG1 A:THR69 4.9 13.2 1.0
CG A:ASN65 5.0 20.5 1.0
HB3 A:SER72 5.0 25.8 1.0

Chlorine binding site 3 out of 9 in 4a7d

Go back to Chlorine Binding Sites List in 4a7d
Chlorine binding site 3 out of 9 in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1132

b:29.4
occ:1.00
 H A:GLY26 2.4 18.4 1.0
HG A:SER24 2.6 30.5 1.0
HA3 A:GLY26 2.8 21.1 1.0
HA A:GLN121 2.8 36.3 1.0
OG A:SER24 3.0 25.4 1.0
HB2 A:SER24 3.0 26.3 1.0
N A:GLY26 3.1 15.3 1.0
HG2 A:GLN121 3.1 69.4 1.0
CD1 A:ILE124 3.3 40.9 1.0
CA A:GLY26 3.4 17.6 1.0
HG23 A:VAL120 3.4 32.4 1.0
CB A:SER24 3.5 21.9 1.0
CA A:GLN121 3.6 30.2 1.0
N A:GLN121 3.9 23.6 1.0
CG A:GLN121 4.0 57.9 1.0
HA2 A:GLY26 4.0 21.1 1.0
O A:VAL120 4.1 24.3 1.0
H A:ASN27 4.1 18.9 1.0
H A:LEU25 4.1 29.6 1.0
HB3 A:SER24 4.1 26.3 1.0
N A:LEU25 4.2 24.6 1.0
C A:VAL120 4.2 21.1 1.0
CB A:GLN121 4.3 35.9 1.0
HG3 A:GLN121 4.3 69.4 1.0
C A:SER24 4.3 20.9 1.0
H A:GLN121 4.3 28.3 1.0
CG2 A:VAL120 4.3 27.0 1.0
C A:LEU25 4.3 14.5 1.0
HB3 A:LEU25 4.4 22.0 1.0
HB3 A:GLN121 4.4 43.0 1.0
CG1 A:ILE124 4.4 35.2 1.0
C A:GLY26 4.4 18.0 1.0
HG21 A:VAL120 4.5 32.4 1.0
HB A:VAL120 4.5 30.6 1.0
HG23 A:ILE124 4.5 31.0 1.0
CA A:SER24 4.5 24.1 1.0
N A:ASN27 4.6 15.7 1.0
HE21 A:GLN121 4.6 59.3 1.0
HG21 A:ILE124 4.6 31.0 1.0
CA A:LEU25 4.7 18.8 1.0
C A:GLN121 4.8 25.7 1.0
O A:SER24 4.8 19.4 1.0
HD21 A:ASN27 4.9 20.8 1.0
CB A:VAL120 4.9 25.5 1.0
O A:GLN121 5.0 25.8 1.0
CG2 A:ILE124 5.0 25.8 1.0
HG22 A:VAL120 5.0 32.4 1.0

Chlorine binding site 4 out of 9 in 4a7d

Go back to Chlorine Binding Sites List in 4a7d
Chlorine binding site 4 out of 9 in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1133

b:26.5
occ:1.00
 HB3 A:PRO79 2.9 17.9 1.0
HB3 A:ASN65 3.0 17.0 1.0
O A:HOH2106 3.0 28.6 1.0
O A:HOH2127 3.1 19.7 1.0
HA A:PRO79 3.1 19.0 1.0
OD1 A:ASN65 3.2 20.7 1.0
CB A:PRO79 3.6 14.9 1.0
CA A:PRO79 3.7 15.8 1.0
HD3 A:PRO79 3.7 20.7 1.0
N A:PRO79 3.8 15.4 1.0
CB A:ASN65 3.8 14.2 1.0
CG A:ASN65 3.9 20.5 1.0
CD A:PRO79 4.2 17.3 1.0
O A:ASN65 4.3 12.7 1.0
HD22 A:ASN74 4.3 21.3 1.0
HB2 A:ASN65 4.3 17.0 1.0
HB2 A:PRO79 4.3 17.9 1.0
C A:ILE78 4.4 18.9 1.0
CG A:PRO79 4.4 21.6 1.0
HG3 A:PRO79 4.5 25.9 1.0
O A:ILE78 4.6 15.3 1.0
HD21 A:ASN74 4.6 21.3 1.0
O A:HOH2132 4.7 34.9 1.0
ND2 A:ASN74 4.7 17.8 1.0
H A:ASN65 4.8 15.4 1.0
C A:ASN65 4.9 14.6 1.0
CA A:ASN65 4.9 13.0 1.0

Chlorine binding site 5 out of 9 in 4a7d

Go back to Chlorine Binding Sites List in 4a7d
Chlorine binding site 5 out of 9 in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:42.1
occ:1.00
 H A:ASN74 2.2 26.1 1.0
O A:HOH2123 2.6 36.0 1.0
O A:HOH2124 2.9 32.8 1.0
HB3 A:ARG73 3.1 25.3 1.0
N A:ASN74 3.1 21.8 1.0
HD22 A:LEU75 3.3 54.2 1.0
HD2 A:ARG73 3.5 36.5 1.0
HA A:ARG73 3.6 23.4 1.0
HB3 A:ASN74 3.6 20.9 1.0
C A:ASN74 3.7 18.7 1.0
O A:ASN74 3.7 21.0 1.0
CA A:ASN74 3.9 18.9 1.0
CB A:ARG73 3.9 21.1 1.0
HA A:LEU75 3.9 24.4 1.0
CA A:ARG73 4.0 19.6 1.0
C A:ARG73 4.0 20.4 1.0
CD2 A:LEU75 4.2 45.2 1.0
N A:LEU75 4.2 19.0 1.0
HD23 A:LEU75 4.2 54.2 1.0
CB A:ASN74 4.2 17.4 1.0
O A:HOH2125 4.3 35.4 1.0
CD A:ARG73 4.3 30.4 1.0
HD3 A:ARG73 4.4 36.5 1.0
HH11 A:ARG73 4.5 45.3 1.0
HG A:LEU75 4.5 38.6 1.0
CA A:LEU75 4.6 20.3 1.0
HB2 A:ARG73 4.6 25.3 1.0
H A:LEU75 4.6 22.8 1.0
CG A:ARG73 4.7 26.6 1.0
HB2 A:ASN74 4.7 20.9 1.0
HA A:ASN74 4.8 22.7 1.0
HD21 A:LEU75 4.8 54.2 1.0
O A:HOH2120 4.8 27.9 1.0
CG A:LEU75 4.9 32.2 1.0
HG3 A:ARG73 4.9 31.9 1.0

Chlorine binding site 6 out of 9 in 4a7d

Go back to Chlorine Binding Sites List in 4a7d
Chlorine binding site 6 out of 9 in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:27.6
occ:1.00
 H A:ILE88 2.4 22.5 1.0
HE1 A:HIS15 2.8 34.3 1.0
HH22 A:ARG14 2.9 51.0 1.0
HA A:ASP87 2.9 24.3 1.0
N A:ILE88 3.2 18.8 1.0
HB1 A:ALA11 3.3 26.6 1.0
O A:HOH2003 3.3 25.4 1.0
HZ A:PHE3 3.5 20.8 1.0
O A:HOH2145 3.5 46.1 1.0
HH21 A:ARG14 3.5 51.0 1.0
NH2 A:ARG14 3.5 42.5 1.0
CG1 A:ILE88 3.5 18.3 1.0
HG23 A:ILE88 3.6 26.5 1.0
CE1 A:HIS15 3.7 28.6 1.0
CA A:ASP87 3.8 20.2 1.0
OD1 A:ASP87 4.0 23.0 1.0
C A:ASP87 4.0 17.9 1.0
O A:SER86 4.1 22.0 1.0
HB2 A:ALA11 4.1 26.6 1.0
CB A:ALA11 4.1 22.1 1.0
CB A:ILE88 4.2 16.9 1.0
CA A:ILE88 4.2 16.7 1.0
O A:HOH2029 4.3 39.1 1.0
CG A:ASP87 4.3 37.6 1.0
CG2 A:ILE88 4.3 22.1 1.0
H A:THR89 4.3 24.2 1.0
CZ A:PHE3 4.3 17.3 1.0
HD1 A:HIS15 4.4 37.5 1.0
ND1 A:HIS15 4.5 31.2 1.0
CD1 A:ILE88 4.5 19.2 1.0
HE2 A:PHE3 4.6 20.7 1.0
CB A:ASP87 4.6 22.3 1.0
HB3 A:ALA11 4.6 26.6 1.0
NE2 A:HIS15 4.6 32.7 1.0
HG1 A:THR89 4.7 28.1 1.0
HE2 A:HIS15 4.7 39.2 1.0
HG21 A:ILE88 4.7 26.5 1.0
CZ A:ARG14 4.7 48.8 1.0
N A:THR89 4.8 20.1 1.0
HH12 A:ARG14 4.8 63.2 1.0
N A:ASP87 4.8 21.0 1.0
HB2 A:ASP87 4.9 26.8 1.0
C A:SER86 4.9 23.0 1.0
OD2 A:ASP87 4.9 47.9 1.0
CE2 A:PHE3 4.9 17.2 1.0
C A:ILE88 4.9 17.6 1.0
O A:HOH2004 4.9 35.5 1.0
HZ3 A:LYS1 5.0 32.0 1.0

Chlorine binding site 7 out of 9 in 4a7d

Go back to Chlorine Binding Sites List in 4a7d
Chlorine binding site 7 out of 9 in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:37.6
occ:1.00
 HE2 A:PHE38 2.8 18.1 1.0
HZ3 A:TRP123 3.0 31.7 1.0
HZ3 A:LYS33 3.2 32.9 1.0
HD3 A:ARG5 3.2 26.6 1.0
O A:HOH2016 3.2 40.6 1.0
HB2 A:ARG5 3.3 28.3 1.0
HD3 A:LYS33 3.5 19.5 1.0
HE2 A:LYS33 3.6 37.5 1.0
CE2 A:PHE38 3.7 15.0 1.0
CZ3 A:TRP123 3.9 26.5 1.0
NZ A:LYS33 3.9 27.5 1.0
O A:HOH2014 4.1 33.6 1.0
CD A:ARG5 4.1 22.1 1.0
CE A:LYS33 4.1 31.3 1.0
HZ A:PHE38 4.1 16.0 1.0
HE A:ARG5 4.1 30.6 1.0
HZ1 A:LYS33 4.2 32.9 1.0
CD A:LYS33 4.2 16.2 1.0
CB A:ARG5 4.3 23.6 1.0
CZ A:PHE38 4.3 13.3 1.0
HE3 A:TRP123 4.5 25.8 1.0
HH22 A:ARG125 4.5 49.7 1.0
HD2 A:PHE38 4.5 21.2 1.0
NE A:ARG5 4.6 25.5 1.0
HG3 A:ARG5 4.6 28.6 1.0
CG A:ARG5 4.6 23.9 1.0
CD2 A:PHE38 4.6 17.7 1.0
HH2 A:TRP123 4.6 27.4 1.0
HZ2 A:LYS33 4.6 32.9 1.0
CE3 A:TRP123 4.6 21.5 1.0
HB3 A:ARG5 4.6 28.3 1.0
CH2 A:TRP123 4.7 22.8 1.0
HD2 A:ARG5 4.7 26.6 1.0
HG2 A:LYS33 4.8 20.6 1.0
HH12 A:ARG125 4.8 50.0 1.0
HD2 A:LYS33 4.9 19.5 1.0

Chlorine binding site 8 out of 9 in 4a7d

Go back to Chlorine Binding Sites List in 4a7d
Chlorine binding site 8 out of 9 in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:24.3
occ:1.00
 HG23 A:VAL2 2.8 15.2 1.0
O A:HOH2001 2.9 12.3 1.0
O A:HOH2010 3.4 19.5 1.0
H A:VAL2 3.5 20.4 1.0
CG2 A:VAL2 3.6 12.7 1.0
HA A:LYS1 3.7 19.2 1.0
H2 A:LYS1 3.8 20.9 1.0
HG21 A:VAL2 3.8 15.2 1.0
N A:VAL2 4.0 17.1 1.0
O A:HOH2008 4.1 35.4 1.0
HB A:VAL2 4.1 19.1 1.0
HE21 A:GLN41 4.1 15.8 1.0
HG22 A:VAL2 4.3 15.2 1.0
CA A:LYS1 4.4 16.0 1.0
CB A:VAL2 4.4 15.9 1.0
C A:LYS1 4.4 14.6 1.0
N A:LYS1 4.5 17.4 1.0
CA A:VAL2 4.8 16.0 1.0
NE2 A:GLN41 4.8 13.2 1.0
HE22 A:GLN41 4.9 15.8 1.0

Chlorine binding site 9 out of 9 in 4a7d

Go back to Chlorine Binding Sites List in 4a7d
Chlorine binding site 9 out of 9 in the X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of X-Ray Crystal Structure of Hewl Flash-Cooled at High Pressure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1138

b:38.1
occ:1.00
 H A:GLU7 2.4 25.1 1.0
HA3 A:GLY4 2.8 22.9 1.0
H A:CYS6 3.0 27.9 1.0
HB2 A:GLU7 3.0 28.9 1.0
HB2 A:CYS6 3.1 29.8 1.0
N A:GLU7 3.1 20.9 1.0
O A:HOH2015 3.3 25.2 1.0
HB3 A:GLU7 3.5 28.9 1.0
N A:CYS6 3.5 23.3 1.0
CA A:GLY4 3.6 19.1 1.0
CB A:GLU7 3.6 24.1 1.0
C A:GLY4 3.6 20.5 1.0
N A:ARG5 3.8 20.6 1.0
H A:ARG5 3.8 24.7 1.0
CB A:CYS6 3.9 24.8 1.0
CA A:GLU7 3.9 20.4 1.0
C A:CYS6 4.0 20.7 1.0
CA A:CYS6 4.0 25.0 1.0
O A:GLY4 4.1 21.2 1.0
HA2 A:GLY4 4.2 22.9 1.0
H A:GLY4 4.3 30.8 1.0
HA A:GLU7 4.3 24.5 1.0
C A:ARG5 4.4 22.9 1.0
HB3 A:CYS6 4.5 29.8 1.0
N A:GLY4 4.5 25.6 1.0
CA A:ARG5 4.6 20.7 1.0
HB3 A:ARG5 4.8 28.3 1.0
H A:LEU8 4.9 21.6 1.0
OE1 A:GLU7 4.9 21.8 1.0
HA A:CYS6 4.9 30.0 1.0
CG A:GLU7 5.0 24.9 1.0

Reference:

A.Burkhardt, M.Warmer, S.Pannerselvam, A.Wagner, A.Zouni, R.Reimer, H.Hohenberg, A.Meents. Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor Acta Crystallogr.,Sect.F V. 68 495 2012.
ISSN: ISSN 1744-3091
PubMed: 22505429
DOI: 10.1107/S1744309112009670
Page generated: Sat Dec 12 10:23:04 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy