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Iron in PDB 2d0q: Complex of Fe-Type Nhase with Cyclohexyl Isocyanide, Photo- Activated For 1HR at 277K

Enzymatic activity of Complex of Fe-Type Nhase with Cyclohexyl Isocyanide, Photo- Activated For 1HR at 277K

All present enzymatic activity of Complex of Fe-Type Nhase with Cyclohexyl Isocyanide, Photo- Activated For 1HR at 277K:
4.2.1.84;

Protein crystallography data

The structure of Complex of Fe-Type Nhase with Cyclohexyl Isocyanide, Photo- Activated For 1HR at 277K, PDB code: 2d0q was solved by M.Nojiri, Y.Kawano, K.Hashimoto, N.Kamiya, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.22 / 1.65
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.352, 60.201, 81.585, 90.00, 125.10, 90.00
R / Rfree (%) 15.4 / 16.5

Other elements in 2d0q:

The structure of Complex of Fe-Type Nhase with Cyclohexyl Isocyanide, Photo- Activated For 1HR at 277K also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Complex of Fe-Type Nhase with Cyclohexyl Isocyanide, Photo- Activated For 1HR at 277K (pdb code 2d0q). 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 Complex of Fe-Type Nhase with Cyclohexyl Isocyanide, Photo- Activated For 1HR at 277K, PDB code: 2d0q:

Iron binding site 1 out of 1 in 2d0q

Go back to Iron Binding Sites List in 2d0q
Iron binding site 1 out of 1 in the Complex of Fe-Type Nhase with Cyclohexyl Isocyanide, Photo- Activated For 1HR at 277K


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex of Fe-Type Nhase with Cyclohexyl Isocyanide, Photo- Activated For 1HR at 277K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe300

b:7.9
occ:1.00
 N A:CYS114 2.0 7.8 1.0
C A:CYI1301 2.1 12.8 1.0
N A:SER113 2.1 6.5 1.0
SG A:CSD112 2.2 7.8 1.0
SG A:CYS114 2.3 10.0 1.0
SG A:CYS109 2.4 7.5 1.0
C A:SER113 2.9 7.7 1.0
CA A:SER113 3.0 7.0 1.0
CA A:CYS114 3.0 8.2 1.0
CB A:CYS114 3.0 8.4 1.0
CB A:CSD112 3.1 7.5 1.0
OD1 A:CSD112 3.1 8.4 1.0
C A:CSD112 3.1 7.1 1.0
OD2 A:CSD112 3.1 7.0 1.0
N A:CYI1301 3.2 14.7 1.0
CB A:CYS109 3.3 7.5 1.0
CA A:CSD112 3.4 7.2 1.0
N A:CSD112 3.8 6.9 1.0
OG A:SER113 4.0 10.1 1.0
CB A:SER113 4.0 7.8 1.0
O A:SER113 4.1 8.5 1.0
O A:CSD112 4.2 6.6 1.0
C A:CYS114 4.3 8.0 1.0
C4 A:CYI1301 4.7 15.7 1.0
NH2 B:ARG141 4.7 8.1 1.0
O A:CYS114 4.7 8.4 1.0
CA A:CYS109 4.7 6.9 1.0
C A:LEU111 4.9 6.8 1.0
O A:HOH1740 4.9 10.8 1.0
O A:CYS109 4.9 7.9 1.0
NE B:ARG56 5.0 9.7 1.0
O A:THR162 5.0 10.6 1.0

Reference:

M.Nojiri, Y.Kawano, K.Hashimoto, N.Kamiya. X-Ray Snap Shots of Inhibitor Binding Process in Photo-Reactive Nitrile Hydratase To Be Published.
Page generated: Thu Jul 17 00:34:36 2025

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