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Fluorine in PDB 6bpr: Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase

Enzymatic activity of Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase

All present enzymatic activity of Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase:
1.13.11.20;

Protein crystallography data

The structure of Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase, PDB code: 6bpr 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 / 1.96
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 131.306, 131.306, 34.175, 90.00, 90.00, 120.00
R / Rfree (%) 16.1 / 18.8

Other elements in 6bpr:

The structure of Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase also contains other interesting chemical elements:

Iron (Fe) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase (pdb code 6bpr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase, PDB code: 6bpr:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6bpr

Go back to Fluorine Binding Sites List in 6bpr
Fluorine binding site 1 out of 2 in the Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F157

b:39.5
occ:1.00
F1 A:F2Y157 0.0 39.5 1.0
CE1 A:F2Y157 1.3 32.2 1.0
SG A:CYS93 2.2 23.8 0.3
CZ A:F2Y157 2.3 27.4 1.0
CD1 A:F2Y157 2.4 27.9 1.0
OH A:F2Y157 2.6 33.0 1.0
O A:NO303 2.9 31.7 1.0
ND1 A:HIS155 3.3 24.7 1.0
CB A:CYS93 3.5 22.6 0.7
CB A:HIS155 3.6 18.6 1.0
CE2 A:F2Y157 3.6 35.2 1.0
CB A:CYS93 3.6 22.6 0.3
CG A:F2Y157 3.6 26.6 1.0
N A:NO303 3.8 29.9 1.0
CG A:HIS155 3.8 21.9 1.0
O A:PHE94 3.9 20.5 1.0
SG A:CYS93 4.0 25.9 0.7
CA A:CYS93 4.1 20.5 0.7
CD2 A:F2Y157 4.1 28.8 1.0
CA A:CYS93 4.1 20.6 0.3
O A:LEU156 4.2 20.8 1.0
N A:PHE94 4.2 21.4 1.0
CA A:HIS155 4.3 19.1 1.0
N A:LEU156 4.3 19.1 1.0
C A:CYS93 4.4 22.4 0.7
C A:CYS93 4.4 22.3 0.3
CE1 A:HIS155 4.4 25.7 1.0
C A:LEU156 4.5 19.4 1.0
C A:PHE94 4.5 21.4 1.0
C A:HIS155 4.6 20.6 1.0
N A:CYS302 4.6 28.2 1.0
F2 A:F2Y157 4.7 40.0 1.0
CD2 A:HIS88 4.9 20.0 1.0
CB A:F2Y157 4.9 25.8 1.0
N A:F2Y157 5.0 20.4 1.0

Fluorine binding site 2 out of 2 in 6bpr

Go back to Fluorine Binding Sites List in 6bpr
Fluorine binding site 2 out of 2 in the Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Cysteine, Nitric Oxide-Bound Ferrous Form of the Uncrosslinked F2-TYR157 Human Cysteine Dioxygenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F157

b:40.0
occ:1.00
F2 A:F2Y157 0.0 40.0 1.0
CE2 A:F2Y157 1.3 35.2 1.0
CZ A:F2Y157 2.4 27.4 1.0
CD2 A:F2Y157 2.4 28.8 1.0
NH2 A:ARG60 2.6 41.2 1.0
OH A:F2Y157 2.8 33.0 1.0
OXT A:CYS302 3.1 35.8 1.0
CE A:MET179 3.4 46.2 1.0
SD A:MET73 3.6 29.5 1.0
CE1 A:F2Y157 3.6 32.2 1.0
CG A:F2Y157 3.6 26.6 1.0
CE A:MET73 3.6 32.0 1.0
CZ A:ARG60 3.8 41.6 1.0
O A:HOH444 3.8 39.0 1.0
CD1 A:F2Y157 4.1 27.9 1.0
CZ A:PHE161 4.1 27.9 1.0
C A:CYS302 4.3 35.5 1.0
NE A:ARG60 4.3 30.6 1.0
O A:HOH517 4.5 34.3 1.0
CE1 A:PHE161 4.5 28.8 1.0
CE2 A:PHE161 4.5 26.3 1.0
F1 A:F2Y157 4.7 39.5 1.0
N A:CYS302 4.7 28.2 1.0
O A:PHE161 4.8 29.0 1.0
SD A:MET179 4.8 47.1 1.0
CB A:F2Y157 4.9 25.8 1.0
NH1 A:ARG60 4.9 35.0 1.0
CG A:MET73 5.0 27.6 1.0
O A:CYS302 5.0 33.9 1.0

Reference:

J.Li, T.Koto, I.Davis, A.Liu. Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase By the Genetic Incorporation of Fluorotyrosine. Biochemistry V. 58 2218 2019.
ISSN: ISSN 0006-2960
PubMed: 30946568
DOI: 10.1021/ACS.BIOCHEM.9B00006
Page generated: Thu Aug 1 18:12:58 2024

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