Atomistry » Chlorine » PDB 6ok0-6oso » 6ok1
Atomistry »
  Chlorine »
    PDB 6ok0-6oso »
      6ok1 »

Chlorine in PDB 6ok1: LTP2-CHSH2(DUF35) Aldolase

Protein crystallography data

The structure of LTP2-CHSH2(DUF35) Aldolase, PDB code: 6ok1 was solved by M.S.Kimber, E.Mallette, R.Aggett, S.Y.K.Seah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.83 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.680, 110.560, 120.140, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 16.8

Other elements in 6ok1:

The structure of LTP2-CHSH2(DUF35) Aldolase also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the LTP2-CHSH2(DUF35) Aldolase (pdb code 6ok1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the LTP2-CHSH2(DUF35) Aldolase, PDB code: 6ok1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6ok1

Go back to Chlorine Binding Sites List in 6ok1
Chlorine binding site 1 out of 7 in the LTP2-CHSH2(DUF35) Aldolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of LTP2-CHSH2(DUF35) Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:49.0
occ:1.00
 H B:ALA190 2.1 34.1 1.0
HA B:PRO189 2.7 48.7 1.0
HA A:ALA138 2.7 23.9 1.0
N B:ALA190 2.8 28.4 1.0
HB2 A:LEU141 3.0 25.8 1.0
HD3 A:PRO142 3.1 26.5 1.0
HB2 B:ALA190 3.2 34.2 1.0
HE1 B:MET187 3.2 71.1 1.0
O A:TYR137 3.3 19.8 1.0
HD12 A:LEU141 3.3 32.6 1.0
HB3 B:ALA190 3.3 34.2 1.0
CA B:PRO189 3.4 40.6 1.0
HB3 A:TYR137 3.4 25.3 1.0
C A:TYR137 3.5 20.1 1.0
CA A:ALA138 3.5 19.9 1.0
CB B:ALA190 3.6 28.5 1.0
C B:PRO189 3.6 36.0 1.0
N A:ALA138 3.6 18.9 1.0
HB3 B:PRO189 3.8 35.4 1.0
CA B:ALA190 3.8 37.3 1.0
HG3 A:PRO142 3.9 28.9 1.0
HB2 A:TYR137 3.9 25.3 1.0
HE3 A:MET128 3.9 0.9 1.0
CB A:LEU141 3.9 21.5 1.0
HG A:LEU141 4.0 30.1 1.0
CD A:PRO142 4.0 22.0 1.0
CB A:TYR137 4.0 21.1 1.0
CE B:MET187 4.0 59.2 1.0
HE2 B:MET187 4.1 71.1 1.0
H A:ALA138 4.1 22.6 1.0
HB2 A:ALA138 4.1 25.9 1.0
CD1 A:LEU141 4.2 27.1 1.0
CB B:PRO189 4.2 29.5 1.0
H A:LEU141 4.2 23.1 1.0
CG A:LEU141 4.3 25.1 1.0
CG A:PRO142 4.3 24.1 1.0
HA B:ALA190 4.3 44.8 1.0
O B:ARG188 4.3 47.6 1.0
HE1 A:MET128 4.4 0.9 1.0
CB A:ALA138 4.4 21.6 1.0
CA A:TYR137 4.4 20.2 1.0
HE3 B:MET187 4.4 71.1 1.0
HB3 A:LEU141 4.4 25.8 1.0
HG2 A:PRO142 4.5 28.9 1.0
HB1 B:ALA190 4.5 34.2 1.0
HD2 A:PRO142 4.5 26.5 1.0
C A:ALA138 4.6 19.1 1.0
CE A:MET128 4.6 94.9 1.0
N B:PRO189 4.6 52.9 1.0
HB1 A:ALA138 4.7 25.9 1.0
HB2 B:PRO189 4.7 35.4 1.0
HD13 A:LEU141 4.7 32.6 1.0
HD11 A:LEU141 4.7 32.6 1.0
O B:PRO189 4.7 27.8 1.0
N A:LEU141 4.8 19.2 1.0
O A:ALA138 4.8 20.5 1.0
CA A:LEU141 4.9 18.9 1.0
C B:ALA190 4.9 21.5 1.0
N A:PRO142 4.9 19.6 1.0
C B:ARG188 4.9 93.5 1.0

Chlorine binding site 2 out of 7 in 6ok1

Go back to Chlorine Binding Sites List in 6ok1
Chlorine binding site 2 out of 7 in the LTP2-CHSH2(DUF35) Aldolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of LTP2-CHSH2(DUF35) Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:69.6
occ:1.00
 HA A:ARG203 3.9 29.6 1.0
O A:HOH794 4.0 29.7 1.0
O A:HOH750 4.1 40.1 1.0
O A:HOH850 4.2 43.1 1.0
HE1 A:TRP204 4.2 39.2 1.0
O A:SER202 4.3 25.2 1.0
O A:ASN201 4.3 29.5 1.0
HD1 A:TRP204 4.3 43.6 1.0
HE1 A:HIS210 4.3 35.7 1.0
NE1 A:TRP204 4.4 32.7 1.0
O A:GLN200 4.4 28.6 1.0
H A:TRP204 4.4 26.9 1.0
CD1 A:TRP204 4.4 36.4 1.0
HA A:ASN201 4.5 30.0 1.0
CA A:ARG203 4.8 24.7 1.0
C A:ASN201 4.8 28.6 1.0
HD1 A:HIS210 4.8 29.8 1.0
O A:HOH671 4.8 57.2 1.0
C A:SER202 4.9 24.0 1.0
N A:TRP204 5.0 22.4 1.0

Chlorine binding site 3 out of 7 in 6ok1

Go back to Chlorine Binding Sites List in 6ok1
Chlorine binding site 3 out of 7 in the LTP2-CHSH2(DUF35) Aldolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of LTP2-CHSH2(DUF35) Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:64.6
occ:1.00
 O A:HOH856 2.0 62.2 1.0
OD1 A:ASN324 2.8 42.1 1.0
H A:ARG330 2.9 44.0 1.0
HA A:ASN324 3.0 38.5 1.0
HA2 A:GLY329 3.2 39.3 1.0
CG A:ASN324 3.4 42.5 1.0
HA3 A:GLY329 3.6 39.3 1.0
N A:ARG330 3.7 36.7 1.0
CA A:ASN324 3.8 32.1 1.0
CA A:GLY329 3.8 32.7 1.0
HB2 A:ARG330 4.0 56.7 1.0
O A:ASP322 4.0 39.2 1.0
ND2 A:ASN324 4.0 36.6 1.0
HD21 A:ASN324 4.0 44.0 1.0
N A:ASN324 4.0 30.0 1.0
O A:GLY323 4.1 32.4 1.0
C A:GLY323 4.1 35.8 1.0
CB A:ASN324 4.1 27.1 1.0
HB3 A:ARG330 4.2 56.7 1.0
C A:GLY329 4.2 32.0 1.0
CB A:ARG330 4.5 47.2 1.0
H A:ASN324 4.5 36.0 1.0
O A:HOH700 4.6 44.2 1.0
HB3 A:ASN324 4.6 32.5 1.0
HD22 A:ASN324 4.6 44.0 1.0
CA A:ARG330 4.7 40.8 1.0
HB3 A:ASP322 4.7 46.5 1.0
HA3 A:GLY323 4.8 40.4 1.0
C A:ASP322 4.8 37.3 1.0
HB2 A:ASN324 4.9 32.5 1.0
CA A:GLY323 4.9 33.7 1.0

Chlorine binding site 4 out of 7 in 6ok1

Go back to Chlorine Binding Sites List in 6ok1
Chlorine binding site 4 out of 7 in the LTP2-CHSH2(DUF35) Aldolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of LTP2-CHSH2(DUF35) Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:82.2
occ:1.00
 CZ A:TYR251 4.1 29.6 0.6
CE2 A:TYR251 4.1 31.4 0.6
CE1 A:TYR251 4.1 31.1 0.6
CD2 A:TYR251 4.1 27.0 0.6
CD1 A:TYR251 4.1 30.0 0.6
CG A:TYR251 4.2 22.0 0.6
CG A:TYR251 4.4 21.6 0.4
HE2 A:TYR251 4.5 37.7 0.6
HB3 A:TYR251 4.5 52.8 0.4
HE1 A:TYR251 4.5 37.4 0.6
CD1 A:TYR251 4.5 31.5 0.4
HD2 A:TYR251 4.5 32.4 0.6
HD1 A:TYR251 4.6 36.0 0.6
CD2 A:TYR251 4.6 39.7 0.4
OH A:TYR251 4.7 35.3 0.6
HB2 A:TYR251 4.7 18.1 0.6
CE1 A:TYR251 4.7 32.8 0.4
CE2 A:TYR251 4.8 40.2 0.4
HD1 A:TYR251 4.8 37.9 0.4
CZ A:TYR251 4.9 34.8 0.4
HD2 A:TYR251 4.9 47.7 0.4
HH A:TYR251 4.9 42.4 0.6
CB A:TYR251 4.9 43.9 0.4
CB A:TYR251 4.9 15.1 0.6
HB2 A:TYR251 5.0 52.8 0.4
HB3 A:TYR251 5.0 18.1 0.6

Chlorine binding site 5 out of 7 in 6ok1

Go back to Chlorine Binding Sites List in 6ok1
Chlorine binding site 5 out of 7 in the LTP2-CHSH2(DUF35) Aldolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of LTP2-CHSH2(DUF35) Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:90.7
occ:1.00
 HE2 C:HIS296 2.8 36.2 1.0
HB3 C:PRO148 2.9 32.8 1.0
HE2 C:MET256 3.0 47.3 1.0
O C:HOH639 3.1 42.4 1.0
HD2 C:HIS296 3.2 34.0 1.0
NE2 C:HIS296 3.4 30.2 1.0
HG3 C:MET256 3.6 30.3 1.0
O C:HOH831 3.6 31.6 1.0
CD2 C:HIS296 3.6 28.4 1.0
O C:HOH633 3.6 30.1 1.0
CE C:MET256 3.7 39.4 1.0
CB C:PRO148 3.8 27.3 1.0
SD C:MET256 3.8 30.3 1.0
HE1 C:MET256 3.9 47.3 1.0
HG3 C:PRO148 3.9 36.1 1.0
HH C:TYR344 4.0 39.6 1.0
HE2 C:PHE297 4.0 32.3 1.0
HB2 C:PRO148 4.1 32.8 1.0
OH C:TYR344 4.2 33.0 1.0
CG C:MET256 4.2 25.2 1.0
CG C:PRO148 4.2 30.1 1.0
O C:HOH738 4.3 28.7 1.0
HG2 C:PRO148 4.3 36.1 1.0
HE3 C:MET256 4.5 47.3 1.0
HG2 C:MET256 4.5 30.3 1.0
HE3 C:TRP151 4.7 30.7 1.0
CE1 C:HIS296 4.7 32.6 1.0
HA C:PRO148 4.7 27.4 1.0
O C:HOH908 4.9 36.7 1.0
CA C:PRO148 4.9 22.9 1.0
HZ3 C:TRP151 4.9 34.3 1.0
CE2 C:PHE297 4.9 26.9 1.0
CG C:HIS296 5.0 23.0 1.0

Chlorine binding site 6 out of 7 in 6ok1

Go back to Chlorine Binding Sites List in 6ok1
Chlorine binding site 6 out of 7 in the LTP2-CHSH2(DUF35) Aldolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of LTP2-CHSH2(DUF35) Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:73.2
occ:1.00
 O C:HOH919 3.7 58.6 1.0
HA C:ARG203 3.8 34.6 1.0
HE1 C:TRP204 3.9 47.4 1.0
O C:HOH828 3.9 36.4 1.0
HD1 C:TRP204 4.0 49.4 1.0
O C:SER202 4.0 34.0 1.0
NE1 C:TRP204 4.0 39.5 1.0
CD1 C:TRP204 4.1 41.2 1.0
H C:TRP204 4.2 37.7 1.0
HE1 C:HIS210 4.2 32.9 1.0
O C:HOH866 4.4 52.2 1.0
O C:GLN200 4.5 33.5 1.0
O C:ASN201 4.5 35.8 1.0
CA C:ARG203 4.6 28.8 1.0
HA C:ASN201 4.7 42.5 1.0
HD1 C:HIS210 4.7 31.9 1.0
N C:TRP204 4.7 31.4 1.0
CE2 C:TRP204 4.7 37.9 1.0
C C:SER202 4.8 31.8 1.0
CG C:TRP204 4.8 31.3 1.0
CE1 C:HIS210 4.9 27.4 1.0
C C:ASN201 4.9 38.4 1.0
C C:ARG203 5.0 34.1 1.0

Chlorine binding site 7 out of 7 in 6ok1

Go back to Chlorine Binding Sites List in 6ok1
Chlorine binding site 7 out of 7 in the LTP2-CHSH2(DUF35) Aldolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of LTP2-CHSH2(DUF35) Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl403

b:73.3
occ:1.00
 HE2 D:PHE259 2.6 0.4 1.0
HD2 D:PHE259 3.1 0.1 1.0
HD11 D:LEU299 3.3 81.3 1.0
CE2 D:PHE259 3.3 90.3 1.0
CD2 D:PHE259 3.6 90.9 1.0
HB3 D:ASN279 3.6 40.8 1.0
HG12 D:VAL281 3.8 64.1 1.0
HG11 D:VAL281 3.9 64.1 1.0
CG D:ASN279 4.0 39.7 1.0
HB2 D:ASN279 4.0 40.8 1.0
CD1 D:LEU299 4.1 67.7 1.0
CB D:ASN279 4.1 34.0 1.0
HD12 D:LEU299 4.1 81.3 1.0
OD1 D:ASN279 4.1 35.2 1.0
CG1 D:VAL281 4.2 53.4 1.0
HG13 D:VAL281 4.2 64.1 1.0
O D:HOH549 4.3 40.3 1.0
ND2 D:ASN279 4.5 39.6 1.0
HB2 D:TYR263 4.5 38.9 1.0
HD13 D:LEU299 4.5 81.3 1.0
CZ D:PHE259 4.6 66.0 1.0
O D:HOH509 4.7 50.9 1.0
HD22 D:ASN279 4.7 47.5 1.0
HD21 D:ASN279 4.8 47.5 1.0
HZ D:PHE259 4.8 79.2 1.0
CG D:PHE259 4.9 71.4 1.0

Reference:

R.Aggett, E.Mallette, S.E.Gilbert, M.A.Vachon, K.L.Schroeter, M.S.Kimber, S.Y.K.Seah. The Steroid Side-Chain-Cleaving Aldolase LTP2-CHSH2DUF35IS A Thiolase Superfamily Member with A Radically Repurposed Active Site. J.Biol.Chem. V. 294 11934 2019.
ISSN: ESSN 1083-351X
PubMed: 31209106
DOI: 10.1074/JBC.RA119.008889
Page generated: Mon Jul 29 12:43:50 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy