Atomistry » Iron » PDB 3x20-3zjo » 3x24
Atomistry »
  Iron »
    PDB 3x20-3zjo »
      3x24 »

Iron in PDB 3x24: Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 120 Min

Enzymatic activity of Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 120 Min

All present enzymatic activity of Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 120 Min:
4.2.1.84;

Protein crystallography data

The structure of Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 120 Min, PDB code: 3x24 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) 24.55 / 1.24
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.910, 59.913, 81.585, 90.00, 125.05, 90.00
R / Rfree (%) 13.8 / 16.3

Other elements in 3x24:

The structure of Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 120 Min also contains other interesting chemical elements:

Magnesium (Mg) 2 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 120 Min (pdb code 3x24). 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 120 Min, PDB code: 3x24:

Iron binding site 1 out of 1 in 3x24

Go back to Iron Binding Sites List in 3x24
Iron binding site 1 out of 1 in the Crystal Structure of Nitrile Hydratase Mutant BR56K Complexed with Trimethylacetonitrile, Photo-Activated For 120 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 120 Min within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:10.7
occ:0.90
 N A:CSO114 2.0 11.7 1.0
N A:TAN303 2.0 12.0 1.0
N A:SER113 2.0 11.8 1.0
SG A:CSD112 2.2 11.7 1.0
SG A:CSO114 2.2 13.8 1.0
SG A:CYS109 2.3 11.9 1.0
C A:SER113 2.8 12.1 1.0
CA A:SER113 2.9 11.8 1.0
C A:TAN303 2.9 18.8 1.0
CA A:CSO114 3.0 12.2 1.0
CB A:CSO114 3.0 14.1 1.0
OD A:CSO114 3.1 22.9 1.0
C A:CSD112 3.1 11.4 1.0
OD1 A:CSD112 3.1 12.8 1.0
OD2 A:CSD112 3.1 12.2 1.0
CB A:CSD112 3.2 11.3 1.0
CB A:CYS109 3.3 12.3 1.0
CA A:CSD112 3.4 11.6 1.0
OG A:SER113 3.7 14.6 1.0
N A:CSD112 3.9 11.4 1.0
CB A:SER113 3.9 12.4 1.0
O A:SER113 4.0 12.2 1.0
O A:CSD112 4.2 11.7 1.0
C A:CSO114 4.3 12.2 1.0
C2 A:TAN303 4.3 20.0 1.0
CA A:CYS109 4.7 11.5 1.0
C3 A:TAN303 4.7 22.8 1.0
O A:CSO114 4.7 12.4 1.0
NH2 B:ARG141 4.7 12.7 1.0
O A:CYS109 4.9 11.9 1.0
C A:LEU111 4.9 10.5 1.0
C1 A:TAN303 4.9 21.6 1.0
O A:THR162 4.9 13.8 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 22:58:37 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy