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Iron in PDB 4xfb: Cysteine Dioxygenase Variant - C93A at pH 8.0 Unliganded

Enzymatic activity of Cysteine Dioxygenase Variant - C93A at pH 8.0 Unliganded

All present enzymatic activity of Cysteine Dioxygenase Variant - C93A at pH 8.0 Unliganded:
1.13.11.20;

Protein crystallography data

The structure of Cysteine Dioxygenase Variant - C93A at pH 8.0 Unliganded, PDB code: 4xfb was solved by C.M.Driggers, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.73 / 1.35
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.600, 57.600, 122.400, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 19.1

Other elements in 4xfb:

The structure of Cysteine Dioxygenase Variant - C93A at pH 8.0 Unliganded also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Cysteine Dioxygenase Variant - C93A at pH 8.0 Unliganded (pdb code 4xfb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Cysteine Dioxygenase Variant - C93A at pH 8.0 Unliganded, PDB code: 4xfb:

Iron binding site 1 out of 1 in 4xfb

Go back to Iron Binding Sites List in 4xfb
Iron binding site 1 out of 1 in the Cysteine Dioxygenase Variant - C93A at pH 8.0 Unliganded


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cysteine Dioxygenase Variant - C93A at pH 8.0 Unliganded within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:9.2
occ:1.00
NE2 A:HIS86 2.0 10.7 1.0
NE2 A:HIS88 2.1 10.2 1.0
NE2 A:HIS140 2.1 9.9 1.0
CL A:CL502 2.2 18.2 1.0
O A:HOH765 2.4 19.2 1.0
CE1 A:HIS88 2.9 9.8 1.0
CD2 A:HIS86 3.0 9.5 1.0
CE1 A:HIS140 3.1 10.2 1.0
CE1 A:HIS86 3.1 10.4 1.0
CD2 A:HIS140 3.1 10.4 1.0
CD2 A:HIS88 3.1 10.7 1.0
ND1 A:HIS88 4.1 10.3 1.0
CG A:HIS86 4.1 11.5 1.0
ND1 A:HIS86 4.1 10.1 1.0
ND1 A:HIS140 4.2 10.9 1.0
CG A:HIS140 4.2 9.9 1.0
CG A:HIS88 4.2 9.6 1.0
O A:HOH751 4.5 18.9 1.0
OH A:TYR157 4.6 14.0 1.0
CG2 A:ILE133 4.7 12.9 1.0
O A:HOH824 4.8 40.3 1.0
CG2 A:VAL142 4.8 12.9 1.0

Reference:

C.M.Driggers, K.M.Kean, L.L.Hirschberger, R.B.Cooley, M.H.Stipanuk, P.A.Karplus. Structure-Based Insights Into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition By Mammalian Cysteine Dioxygenase. J. Mol. Biol. V. 428 3999 2016.
ISSN: ESSN 1089-8638
PubMed: 27477048
DOI: 10.1016/J.JMB.2016.07.012
Page generated: Sun Dec 13 15:51:56 2020

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