Atomistry » Iron » PDB 3whm-3x16 » 3wvd
Atomistry »
  Iron »
    PDB 3whm-3x16 »
      3wvd »

Iron in PDB 3wvd: Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 50 Min

Enzymatic activity of Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 50 Min

All present enzymatic activity of Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 50 Min:
4.2.1.84;

Protein crystallography data

The structure of Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 50 Min, PDB code: 3wvd was solved by Y.Yamanaka, K.Hashimoto, K.Noguchi, M.Yohda, M.Odaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.19 / 1.18
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.084, 59.965, 81.720, 90.00, 125.05, 90.00
R / Rfree (%) 14.2 / 16.3

Other elements in 3wvd:

The structure of Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 50 Min also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 50 Min (pdb code 3wvd). 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 Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 50 Min, PDB code: 3wvd:

Iron binding site 1 out of 1 in 3wvd

Go back to Iron Binding Sites List in 3wvd
Iron binding site 1 out of 1 in the Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 50 Min


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 50 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:12.4
occ:0.90
 N A:TAN303 2.0 12.7 1.0
N A:CSO114 2.0 13.2 1.0
N A:SER113 2.0 12.9 1.0
SG A:CSD112 2.2 13.1 1.0
SG A:CSO114 2.2 14.8 1.0
SG A:CYS109 2.3 13.6 1.0
C A:SER113 2.8 13.5 1.0
CA A:SER113 2.9 13.4 1.0
C A:TAN303 2.9 18.3 1.0
CA A:CSO114 3.0 14.0 1.0
CB A:CSO114 3.0 14.9 1.0
OD A:CSO114 3.0 19.0 1.0
C A:CSD112 3.1 12.6 1.0
OD1 A:CSD112 3.1 14.0 1.0
OD2 A:CSD112 3.1 13.8 1.0
CB A:CSD112 3.2 13.2 1.0
CB A:CYS109 3.3 13.6 1.0
CA A:CSD112 3.4 12.6 1.0
OG A:SER113 3.7 16.1 1.0
N A:CSD112 3.9 12.6 1.0
CB A:SER113 3.9 14.0 1.0
O A:SER113 4.0 14.0 1.0
O A:CSD112 4.2 13.3 1.0
C2 A:TAN303 4.3 18.2 1.0
C A:CSO114 4.3 13.7 1.0
CA A:CYS109 4.7 13.7 1.0
O A:CSO114 4.7 14.0 1.0
NH2 B:ARG141 4.7 14.6 1.0
C1 A:TAN303 4.7 21.1 1.0
C A:LEU111 4.9 12.3 1.0
O A:CYS109 4.9 13.6 1.0
C4 A:TAN303 4.9 20.4 1.0
O A:THR162 4.9 15.6 1.0

Reference:

Y.Yamanaka, Y.Kato, K.Hashimoto, K.Iida, K.Nagasawa, H.Nakayama, N.Dohmae, K.Noguchi, T.Noguchi, M.Yohda, M.Odaka. Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing A Role For the Cysteinesulfenic Acid Ligand As A Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl. V. 54 10763 2015.
ISSN: ISSN 1433-7851
PubMed: 26333053
DOI: 10.1002/ANIE.201502731
Page generated: Sun Aug 4 22:52:09 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy