Atomistry » Chlorine » PDB 6h4k-6hb5 » 6h9a
Atomistry »
  Chlorine »
    PDB 6h4k-6hb5 »
      6h9a »

Chlorine in PDB 6h9a: Crystal Structure of Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine.

Protein crystallography data

The structure of Crystal Structure of Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine., PDB code: 6h9a was solved by F.Leisinger, R.Burn, M.Meury, P.Lukat, F.P.Seebeck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.94 / 2.83
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.550, 178.240, 43.266, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 21.7

Other elements in 6h9a:

The structure of Crystal Structure of Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine. also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine. (pdb code 6h9a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine., PDB code: 6h9a:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6h9a

Go back to Chlorine Binding Sites List in 6h9a
Chlorine binding site 1 out of 3 in the Crystal Structure of Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine.


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 Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:26.4
occ:1.00
N A:HIS261 3.2 20.5 1.0
NH1 A:ARG381 3.3 14.8 1.0
O A:HOH623 3.4 19.8 1.0
C A:ALA259 3.5 15.7 1.0
N A:ILE262 3.5 18.0 1.0
CD2 A:PHE245 3.6 12.8 1.0
CA A:ALA259 3.6 18.6 1.0
CB A:HIS261 3.6 20.2 1.0
N A:GLY260 3.6 14.1 1.0
CG1 A:ILE262 3.7 22.9 1.0
NH2 A:ARG381 3.8 22.7 1.0
CA A:HIS261 3.8 16.6 1.0
O A:ALA259 4.0 22.8 1.0
CZ A:ARG381 4.0 23.9 1.0
C A:HIS261 4.1 18.6 1.0
CB A:ALA259 4.2 8.2 1.0
C A:GLY260 4.2 15.1 1.0
CB A:PHE245 4.3 16.0 1.0
CD1 A:ILE262 4.4 20.1 1.0
CG A:PHE245 4.4 12.4 1.0
CE2 A:PHE245 4.4 18.0 1.0
CA A:PHE245 4.5 18.9 1.0
O A:ALA258 4.5 26.8 1.0
CA A:GLY260 4.5 19.7 1.0
CB A:ILE262 4.5 18.2 1.0
CA A:ILE262 4.6 19.1 1.0
N A:ALA259 4.8 19.7 1.0
N A:PHE245 4.9 18.6 1.0
CG A:HIS261 4.9 25.9 1.0

Chlorine binding site 2 out of 3 in 6h9a

Go back to Chlorine Binding Sites List in 6h9a
Chlorine binding site 2 out of 3 in the Crystal Structure of Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine.


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 Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:18.0
occ:1.00
OH A:TYR411 2.9 21.3 1.0
N A:ILE362 3.1 31.7 1.0
NH1 A:ARG341 3.3 10.6 1.0
CE2 A:TYR411 3.4 18.2 1.0
CA A:ARG361 3.5 18.3 1.0
SG A:CYS339 3.6 20.9 1.0
CZ A:TYR411 3.6 15.3 1.0
CD A:ARG341 3.7 13.3 1.0
CB A:ARG361 3.8 26.2 1.0
C A:ARG361 3.8 27.1 1.0
CG1 A:ILE362 4.0 24.1 1.0
CB A:ILE362 4.1 17.4 1.0
CA A:ILE362 4.2 13.6 1.0
CZ A:ARG341 4.3 13.8 1.0
O A:GLY360 4.4 31.0 1.0
CB A:CYS339 4.5 19.3 1.0
NE A:ARG341 4.5 14.8 1.0
CE3 A:TRP440 4.5 22.8 1.0
CB A:TRP440 4.5 17.6 1.0
CD1 A:ILE362 4.6 12.4 1.0
N A:ARG361 4.7 23.0 1.0
CD2 A:TYR411 4.7 11.5 1.0
O A:ILE362 4.9 29.2 1.0
CG A:ARG341 4.9 14.6 1.0
CD2 A:TRP440 4.9 15.8 1.0
C A:GLY360 5.0 24.4 1.0
CG A:TRP440 5.0 23.7 1.0
CE1 A:TYR411 5.0 16.1 1.0

Chlorine binding site 3 out of 3 in 6h9a

Go back to Chlorine Binding Sites List in 6h9a
Chlorine binding site 3 out of 3 in the Crystal Structure of Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine.


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 Anaerobic Ergothioneine Biosynthesis Enzyme From Chlorobium Limicola in Complex with Natural Substrate Trimethyl Histidine. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:59.3
occ:1.00
N A:GLY46 3.4 30.2 1.0
CA A:GLY46 4.0 28.5 1.0
O A:SER47 4.0 45.1 1.0
O A:HOH678 4.3 33.1 1.0
O A:HOH637 4.3 18.3 1.0
N A:SER47 4.3 42.1 1.0
C A:LEU45 4.4 33.3 1.0
C A:GLY46 4.4 35.1 1.0
CA A:LEU45 4.4 16.4 1.0
CD1 A:ILE52 4.4 10.7 1.0
O A:LEU44 4.5 37.9 1.0
O A:GLY77 4.6 25.0 1.0
O A:VAL50 4.6 34.0 1.0
CD2 A:LEU45 4.7 26.3 1.0
CA A:GLY77 4.7 5.3 1.0
O A:LYS76 4.9 33.6 1.0
C A:GLY77 5.0 15.3 1.0

Reference:

F.Leisinger, R.Burn, M.Meury, P.Lukat, F.P.Seebeck. Structural and Mechanistic Basis For Anaerobic Ergothioneine Biosynthesis. J.Am.Chem.Soc. V. 141 6906 2019.
ISSN: ESSN 1520-5126
PubMed: 30943021
DOI: 10.1021/JACS.8B12596
Page generated: Sat Jul 12 15:03:11 2025

Last articles

Na in 2BT3
Na in 2BY4
Na in 2BWU
Na in 2BL2
Na in 2BS4
Na in 2BS3
Na in 2BS2
Na in 2BQO
Na in 2BQN
Na in 2BQL
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy