Atomistry » Chlorine » PDB 6bmc-6brf » 6bpw
Atomistry »
  Chlorine »
    PDB 6bmc-6brf »
      6bpw »

Chlorine in PDB 6bpw: Crystal Structure of Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor

Enzymatic activity of Crystal Structure of Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor

All present enzymatic activity of Crystal Structure of Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor:
1.13.11.20;

Protein crystallography data

The structure of Crystal Structure of Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor, PDB code: 6bpw was solved by A.Liu, J.Li, I.Shin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.83 / 2.43
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 131.098, 131.098, 34.292, 90.00, 90.00, 120.00
R / Rfree (%) 16 / 20.6

Other elements in 6bpw:

The structure of Crystal Structure of Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor also contains other interesting chemical elements:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor (pdb code 6bpw). 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 Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor, PDB code: 6bpw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6bpw

Go back to Chlorine Binding Sites List in 6bpw
Chlorine binding site 1 out of 3 in the Crystal Structure of Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor


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 Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl157

b:44.1
occ:0.65
 CL1 A:2LT157 0.0 44.1 0.7
CE1 A:2LT157 1.7 36.7 0.7
CE1 A:2LT157 2.0 36.9 0.3
CZ A:2LT157 2.1 36.2 0.3
SG A:CYS93 2.2 31.5 0.3
OH A:2LT157 2.4 38.3 0.3
CD1 A:2LT157 2.7 35.5 0.7
CZ A:2LT157 2.7 36.0 0.7
CD1 A:2LT157 2.9 36.0 0.3
OH A:2LT157 3.0 40.2 0.7
O A:HOH405 3.1 40.6 1.0
O A:PHE94 3.1 31.9 1.0
CE2 A:2LT157 3.1 35.6 0.3
ND1 A:HIS155 3.3 35.5 1.0
CB A:CYS93 3.5 37.1 0.7
CB A:CYS93 3.6 37.1 0.3
CB A:HIS155 3.6 31.3 1.0
N A:PHE94 3.7 32.2 1.0
C A:PHE94 3.7 31.6 1.0
CG A:2LT157 3.7 34.6 0.3
CG A:HIS155 3.8 37.4 1.0
CD2 A:2LT157 3.8 35.5 0.3
C A:CYS93 3.8 33.0 1.0
CA A:CYS93 3.9 34.8 0.3
CA A:CYS93 3.9 34.8 0.7
O A:LEU156 3.9 32.0 1.0
CG A:2LT157 4.0 34.2 0.7
CE2 A:2LT157 4.0 40.9 0.7
CA A:HIS155 4.1 32.4 1.0
N A:LEU156 4.1 25.2 1.0
CL2 A:2LT157 4.2 40.4 0.3
CA A:PHE94 4.3 27.3 1.0
CE1 A:HIS155 4.3 41.1 1.0
CB A:LEU95 4.4 29.6 1.0
N A:LEU95 4.4 29.5 1.0
SG A:CYS93 4.4 41.7 0.7
C A:LEU156 4.5 30.8 1.0
C A:HIS155 4.5 34.7 1.0
O A:CYS93 4.5 27.5 1.0
CD2 A:2LT157 4.5 36.8 0.7
CA A:LEU95 4.6 26.3 1.0
CG A:LEU95 4.9 39.9 1.0
O A:HOH402 4.9 40.1 1.0
CD2 A:HIS155 5.0 35.4 1.0
CA A:LEU156 5.0 28.4 1.0

Chlorine binding site 2 out of 3 in 6bpw

Go back to Chlorine Binding Sites List in 6bpw
Chlorine binding site 2 out of 3 in the Crystal Structure of Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor


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 Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl157

b:47.0
occ:0.65
 CL2 A:2LT157 0.0 47.0 0.7
CE2 A:2LT157 1.7 40.9 0.7
CD2 A:2LT157 2.7 36.8 0.7
CZ A:2LT157 2.7 36.0 0.7
CL2 A:2LT157 2.7 40.4 0.3
CE2 A:2LT157 2.8 35.6 0.3
O A:HOH402 2.8 40.1 1.0
OH A:2LT157 3.0 40.2 0.7
O A:HOH421 3.2 45.4 1.0
CD2 A:2LT157 3.3 35.5 0.3
CZ A:2LT157 3.3 36.2 0.3
O A:HOH439 3.4 52.3 1.0
SD A:MET179 3.4 74.2 1.0
NH1 A:ARG60 3.6 42.9 0.7
NH1 A:ARG60 3.7 43.3 0.3
CZ A:PHE161 3.8 36.2 1.0
OH A:2LT157 3.8 38.3 0.3
O A:HOH465 3.8 52.9 1.0
CE A:MET179 4.0 57.7 1.0
CG A:2LT157 4.0 34.2 0.7
CE1 A:2LT157 4.1 36.7 0.7
CE1 A:PHE161 4.1 39.0 1.0
CG A:2LT157 4.2 34.6 0.3
CE1 A:2LT157 4.2 36.9 0.3
NH2 A:ARG60 4.3 45.5 0.3
O A:HOH401 4.4 58.6 1.0
CZ A:ARG60 4.4 45.5 0.3
CZ A:ARG60 4.5 45.3 0.7
CD1 A:2LT157 4.5 35.5 0.7
CD1 A:2LT157 4.6 36.0 0.3
CE2 A:PHE161 4.6 38.8 1.0
NH2 A:ARG60 4.9 49.0 0.7
SD A:MET73 4.9 54.6 1.0

Chlorine binding site 3 out of 3 in 6bpw

Go back to Chlorine Binding Sites List in 6bpw
Chlorine binding site 3 out of 3 in the Crystal Structure of Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor


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 Ferrous Form of the CL2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl157

b:40.4
occ:0.35
 CL2 A:2LT157 0.0 40.4 0.3
CE2 A:2LT157 1.7 35.6 0.3
CZ A:2LT157 2.3 36.0 0.7
CE2 A:2LT157 2.4 40.9 0.7
OH A:2LT157 2.5 40.2 0.7
CZ A:2LT157 2.7 36.2 0.3
CD2 A:2LT157 2.7 35.5 0.3
CL2 A:2LT157 2.7 47.0 0.7
O A:HOH421 2.9 45.4 1.0
OH A:2LT157 3.0 38.3 0.3
CE1 A:2LT157 3.2 36.7 0.7
CD2 A:2LT157 3.2 36.8 0.7
SD A:MET73 3.3 54.6 1.0
NH1 A:ARG60 3.4 42.9 0.7
ND1 A:HIS155 3.4 35.5 1.0
CB A:HIS155 3.5 31.3 1.0
NH1 A:ARG60 3.5 43.3 0.3
CG A:HIS155 3.7 37.4 1.0
CG A:MET73 3.8 41.1 1.0
CD1 A:2LT157 3.9 35.5 0.7
CG A:2LT157 3.9 34.2 0.7
O A:HOH402 4.0 40.1 1.0
CG A:2LT157 4.0 34.6 0.3
CE1 A:2LT157 4.0 36.9 0.3
CL1 A:2LT157 4.2 44.1 0.7
CD1 A:LEU75 4.3 28.5 1.0
CE A:MET73 4.3 44.9 1.0
CE1 A:HIS155 4.4 41.1 1.0
CD1 A:2LT157 4.5 36.0 0.3
CZ A:ARG60 4.5 45.5 0.3
CZ A:ARG60 4.7 45.3 0.7
NH2 A:ARG60 4.7 45.5 0.3
CD2 A:HIS155 4.7 35.4 1.0
CD2 A:LEU75 4.9 36.3 1.0
CA A:HIS155 4.9 32.4 1.0

Reference:

J.Li, W.P.Griffith, I.Davis, I.Shin, J.Wang, F.Li, Y.Wang, D.J.Wherritt, A.Liu. Cleavage of A Carbon-Fluorine Bond By An Engineered Cysteine Dioxygenase. Nat. Chem. Biol. V. 14 853 2018.
ISSN: ESSN 1552-4469
PubMed: 29942080
DOI: 10.1038/S41589-018-0085-5
Page generated: Fri Jul 26 23:00:05 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