Iron in PDB 3v2v: Nitrite Bound Chlorin Substituted Myoglobin- Method 1

The structure of Nitrite Bound Chlorin Substituted Myoglobin- Method 1, PDB code: 3v2v was solved by J.Yi, L.M.Thomas, G.B.Ricther-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.23 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.432, 30.519, 63.579, 90.00, 105.23, 90.00
R / Rfree (%)	19.2 / 21.8

The structure of Nitrite Bound Chlorin Substituted Myoglobin- Method 1 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Nitrite Bound Chlorin Substituted Myoglobin- Method 1 (pdb code 3v2v). 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 Nitrite Bound Chlorin Substituted Myoglobin- Method 1, PDB code: 3v2v:

Iron binding site 1 out of 1 in the Nitrite Bound Chlorin Substituted Myoglobin- Method 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Nitrite Bound Chlorin Substituted Myoglobin- Method 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe154 b:14.9 occ:1.00 FE A:HKL154 0.0 14.9 1.0 N4 A:HKL154 2.0 16.2 1.0 NE2 A:HIS93 2.0 13.3 1.0 N1 A:HKL154 2.1 14.6 1.0 N3 A:HKL154 2.1 16.5 1.0 N2 A:HKL154 2.1 14.6 1.0 O1 A:NO2155 2.2 17.9 1.0 N A:NO2155 2.7 20.2 1.0 CE1 A:HIS93 2.9 19.4 1.0 C25 A:HKL154 3.0 16.6 1.0 C33 A:HKL154 3.0 16.6 1.0 C9 A:HKL154 3.0 14.6 1.0 C7 A:HKL154 3.0 13.2 1.0 C15 A:HKL154 3.1 12.4 1.0 C23 A:HKL154 3.1 13.3 1.0 C1 A:HKL154 3.1 15.6 1.0 C17 A:HKL154 3.1 11.7 1.0 CD2 A:HIS93 3.1 15.2 1.0 C34 A:HKL154 3.4 14.8 1.0 C8 A:HKL154 3.4 13.9 1.0 C24 A:HKL154 3.4 15.8 1.0 C16 A:HKL154 3.4 11.6 1.0 O2 A:NO2155 3.9 23.9 1.0 ND1 A:HIS93 4.1 19.8 1.0 CG A:HIS93 4.2 13.1 1.0 C2 A:HKL154 4.2 15.1 1.0 C12 A:HKL154 4.2 14.3 1.0 C31 A:HKL154 4.3 18.6 1.0 C20 A:HKL154 4.3 16.5 1.0 C4 A:HKL154 4.3 14.0 1.0 C10 A:HKL154 4.3 13.8 1.0 C26 A:HKL154 4.3 19.8 1.0 C18 A:HKL154 4.3 11.6 1.0 C22 A:HKL154 4.8 18.8 1.0 NE2 A:HIS64 4.8 17.0 1.0 CG2 A:VAL68 4.9 13.4 1.0 CZ A:PHE43 4.9 25.5 1.0

J.Yi, L.M.Thomas, G.B.Richter-Addo. Distal Pocket Control of Nitrite Binding in Myoglobin Angew.Chem.Int.Ed.Engl. V. 51 3625 2012.
ISSN: ISSN 1433-7851
PubMed: 22383424
DOI: 10.1002/ANIE.201200010