Atomistry » Fluorine » PDB 6bkw-6bz2 » 6bpu
Atomistry »
  Fluorine »
    PDB 6bkw-6bz2 »
      6bpu »

Fluorine in PDB 6bpu: Crystal Structure of Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor

Enzymatic activity of Crystal Structure of Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor

All present enzymatic activity of Crystal Structure of Ferrous Form of the F2-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 F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor, PDB code: 6bpu 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) 37.93 / 1.80
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 131.385, 131.385, 34.246, 90.00, 90.00, 120.00
R / Rfree (%) 16.8 / 18.9

Other elements in 6bpu:

The structure of Crystal Structure of Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor also contains other interesting chemical elements:

Iron (Fe) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor (pdb code 6bpu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor, PDB code: 6bpu:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6bpu

Go back to Fluorine Binding Sites List in 6bpu
Fluorine binding site 1 out of 3 in the Crystal Structure of Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor


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 Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F157

b:29.0
occ:0.47
 F1 A:F2Y157 0.0 29.0 0.5
CE1 A:F2Y157 1.3 28.6 0.5
CE1 A:F2Y157 1.6 28.5 0.5
CZ A:F2Y157 1.7 29.6 0.5
OH A:F2Y157 2.0 31.8 0.5
SG A:CYS93 2.0 30.5 0.5
CD1 A:F2Y157 2.4 28.5 0.5
CZ A:F2Y157 2.4 29.8 0.5
CD1 A:F2Y157 2.7 29.0 0.5
OH A:F2Y157 2.8 32.5 0.5
CE2 A:F2Y157 2.8 30.7 0.5
O A:HOH411 3.2 28.3 1.0
ND1 A:HIS155 3.3 27.4 1.0
O A:PHE94 3.4 23.0 1.0
CB A:CYS93 3.5 27.2 0.5
CB A:HIS155 3.5 22.9 1.0
CB A:CYS93 3.5 27.2 0.5
CG A:F2Y157 3.6 28.4 0.5
CD2 A:F2Y157 3.6 30.0 0.5
CE2 A:F2Y157 3.6 29.6 0.5
CG A:F2Y157 3.6 28.4 0.5
F2 A:F2Y157 3.7 38.4 0.5
CG A:HIS155 3.8 28.1 1.0
N A:PHE94 3.8 24.7 1.0
CA A:CYS93 3.9 24.6 0.5
CA A:CYS93 3.9 24.6 0.5
C A:PHE94 4.0 24.1 1.0
C A:CYS93 4.0 23.8 1.0
O A:LEU156 4.1 24.7 1.0
CD2 A:F2Y157 4.1 29.9 0.5
CA A:HIS155 4.1 18.6 1.0
N A:LEU156 4.2 22.4 1.0
SG A:CYS93 4.2 29.3 0.5
CE1 A:HIS155 4.5 31.6 1.0
C A:LEU156 4.5 22.6 1.0
C A:HIS155 4.5 22.3 1.0
CA A:PHE94 4.6 20.7 1.0
O A:HOH408 4.6 31.8 1.0
F2 A:F2Y157 4.7 34.1 0.5
N A:LEU95 4.8 20.6 1.0
O A:CYS93 4.8 26.0 1.0
CB A:LEU95 4.9 28.0 1.0
CB A:F2Y157 4.9 27.2 0.5
CB A:F2Y157 4.9 27.2 0.5
N A:F2Y157 4.9 22.6 1.0
CA A:LEU95 5.0 22.0 1.0

Fluorine binding site 2 out of 3 in 6bpu

Go back to Fluorine Binding Sites List in 6bpu
Fluorine binding site 2 out of 3 in the Crystal Structure of Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor


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 Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F157

b:34.1
occ:0.47
 F2 A:F2Y157 0.0 34.1 0.5
CE2 A:F2Y157 1.3 29.6 0.5
F2 A:F2Y157 2.2 38.4 0.5
CE2 A:F2Y157 2.3 30.7 0.5
CZ A:F2Y157 2.3 29.8 0.5
CD2 A:F2Y157 2.4 29.9 0.5
OH A:F2Y157 2.7 32.5 0.5
CD2 A:F2Y157 2.8 30.0 0.5
NH1 A:ARG60 2.8 42.3 0.4
CZ A:F2Y157 3.0 29.6 0.5
CE A:MET179 3.1 50.7 1.0
O A:HOH405 3.1 48.0 1.0
O A:HOH408 3.4 31.8 1.0
OH A:F2Y157 3.5 31.8 0.5
NH1 A:ARG60 3.5 42.7 0.6
CE1 A:F2Y157 3.6 28.6 0.5
CG A:F2Y157 3.6 28.4 0.5
CZ A:PHE161 3.6 35.8 1.0
CG A:F2Y157 3.7 28.4 0.5
O A:HOH474 3.9 35.0 1.0
CE1 A:F2Y157 3.9 28.5 0.5
CZ A:ARG60 4.0 41.1 0.4
CE1 A:PHE161 4.1 36.9 1.0
CD1 A:F2Y157 4.1 28.5 0.5
CD1 A:F2Y157 4.2 29.0 0.5
O A:HOH406 4.2 46.5 1.0
O A:HOH439 4.4 41.2 1.0
O A:HOH539 4.4 57.1 1.0
CE2 A:PHE161 4.4 30.4 1.0
CZ A:ARG60 4.6 43.3 0.6
NH2 A:ARG60 4.6 40.8 0.4
SD A:MET73 4.6 40.2 1.0
CE A:MET73 4.7 38.9 1.0
F1 A:F2Y157 4.7 29.0 0.5
SD A:MET179 4.8 75.3 1.0
CB A:F2Y157 4.9 27.2 0.5
CB A:F2Y157 4.9 27.2 0.5
NE A:ARG60 5.0 42.5 0.4

Fluorine binding site 3 out of 3 in 6bpu

Go back to Fluorine Binding Sites List in 6bpu
Fluorine binding site 3 out of 3 in the Crystal Structure of Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Ferrous Form of the F2-TYR157 Human Cysteine Dioxygenase with Both Uncrosslinked and Crosslinked Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F157

b:38.4
occ:0.53
 F2 A:F2Y157 0.0 38.4 0.5
CE2 A:F2Y157 1.3 30.7 0.5
CZ A:F2Y157 1.9 29.8 0.5
CE2 A:F2Y157 1.9 29.6 0.5
OH A:F2Y157 2.2 32.5 0.5
F2 A:F2Y157 2.2 34.1 0.5
CZ A:F2Y157 2.3 29.6 0.5
CD2 A:F2Y157 2.4 30.0 0.5
OH A:F2Y157 2.7 31.8 0.5
CE1 A:F2Y157 2.8 28.6 0.5
CD2 A:F2Y157 2.9 29.9 0.5
O A:HOH405 2.9 48.0 1.0
NH1 A:ARG60 2.9 42.3 0.4
CB A:HIS155 3.4 22.9 1.0
SD A:MET73 3.4 40.2 1.0
CD1 A:F2Y157 3.6 28.5 0.5
ND1 A:HIS155 3.6 27.4 1.0
CG A:F2Y157 3.6 28.4 0.5
NH1 A:ARG60 3.6 42.7 0.6
CE1 A:F2Y157 3.6 28.5 0.5
CG A:F2Y157 3.6 28.4 0.5
F1 A:F2Y157 3.7 29.0 0.5
CG A:HIS155 3.8 28.1 1.0
CE A:MET73 3.9 38.9 1.0
CG A:MET73 4.1 29.6 1.0
CD1 A:F2Y157 4.1 29.0 0.5
CZ A:ARG60 4.1 41.1 0.4
O A:HOH408 4.2 31.8 1.0
CE1 A:HIS155 4.6 31.6 1.0
NH2 A:ARG60 4.7 40.8 0.4
CD1 A:LEU75 4.7 28.5 1.0
CA A:HIS155 4.8 18.6 1.0
CE A:MET179 4.9 50.7 1.0
CZ A:ARG60 4.9 43.3 0.6
CB A:F2Y157 4.9 27.2 0.5
CB A:F2Y157 4.9 27.2 0.5
CD2 A:HIS155 4.9 28.1 1.0
O A:HOH406 5.0 46.5 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: Thu Aug 1 18:14:54 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy