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Iodine in PDB 4jm9: Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Amino-1-Methylpyridinium

Enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Amino-1-Methylpyridinium

All present enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Amino-1-Methylpyridinium:
1.11.1.5;

Protein crystallography data

The structure of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Amino-1-Methylpyridinium, PDB code: 4jm9 was solved by S.E.Boyce, M.Fischer, I.Fish, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.16 / 1.41
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.026, 74.702, 106.585, 90.00, 90.00, 90.00
R / Rfree (%) 11.5 / 13.9

Other elements in 4jm9:

The structure of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Amino-1-Methylpyridinium also contains other interesting chemical elements:

Iron (Fe) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Amino-1-Methylpyridinium (pdb code 4jm9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Amino-1-Methylpyridinium, PDB code: 4jm9:

Iodine binding site 1 out of 1 in 4jm9

Go back to Iodine Binding Sites List in 4jm9
Iodine binding site 1 out of 1 in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Amino-1-Methylpyridinium


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with 3-Amino-1-Methylpyridinium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:22.9
occ:0.40
 O A:GLY189 1.1 17.9 0.5
C A:GLY189 1.8 17.4 0.5
CA A:GLY190 2.0 23.2 0.5
N A:GLY190 2.1 19.7 0.5
CG A:MET228 3.3 19.1 0.7
CA A:GLY189 3.3 18.6 0.5
C A:GLY190 3.3 24.9 0.5
SD A:MET228 3.4 19.0 0.7
CA A:GLY189 3.5 25.0 0.5
N A:GLY191 3.6 23.2 0.5
C7 A:LG5302 3.7 24.5 1.0
N A:THR180 3.7 17.2 0.5
O A:HOH800 3.7 31.1 1.0
N A:THR180 3.7 16.9 0.5
C A:GLY189 3.7 26.0 0.5
C4 A:LG5302 3.8 18.6 1.0
CE A:MET228 3.9 18.5 0.3
N3 A:LG5302 3.9 18.8 1.0
CA A:LYS179 3.9 18.9 0.5
CA A:GLY191 3.9 23.2 0.5
CA A:LYS179 3.9 17.7 0.5
OG1 A:THR180 3.9 19.1 0.5
CB A:LYS179 3.9 19.3 0.5
CB A:LYS179 4.0 20.7 0.5
N A:GLY189 4.0 24.6 0.5
OG1 A:THR180 4.0 19.3 0.5
N A:GLY189 4.0 19.0 0.5
O A:GLY190 4.1 27.8 0.5
N A:GLY191 4.1 26.4 0.5
CB A:MET228 4.1 17.3 0.3
N A:GLY190 4.1 25.5 0.5
O A:GLY189 4.1 28.3 0.5
C A:LYS179 4.3 18.5 0.5
C A:LYS179 4.4 17.0 0.5
CG2 A:THR180 4.5 16.2 0.5
CG2 A:THR180 4.5 16.5 0.5
CB A:THR180 4.6 16.6 0.5
CB A:MET228 4.6 18.2 0.7
CB A:THR180 4.7 16.6 0.5
CA A:THR180 4.7 16.5 0.5
N A:MET228 4.7 18.6 1.0
C5 A:LG5302 4.7 17.9 1.0
CA A:THR180 4.8 16.5 0.5
C A:GLY190 4.8 25.9 0.5
O A:GLY178 4.8 18.7 0.5
C A:GLU188 4.8 17.8 0.5
O A:GLY178 4.8 18.6 0.5
O A:MET228 4.8 17.9 1.0
CE A:MET228 4.8 18.1 0.7
O A:GLU188 4.9 18.8 0.5
C A:GLU188 4.9 22.7 0.5
C2 A:LG5302 4.9 20.0 1.0
O A:HOH601 4.9 21.7 0.5
CG A:LYS179 5.0 21.7 0.5
CA A:MET228 5.0 17.2 0.3
O A:THR180 5.0 20.4 0.5

Reference:

G.J.Rocklin, S.E.Boyce, M.Fischer, I.Fish, D.L.Mobley, B.K.Shoichet, K.A.Dill. Blind Prediction of Charged Ligand Binding Affinities in A Model Binding Site. J.Mol.Biol. V. 425 4569 2013.
ISSN: ISSN 0022-2836
PubMed: 23896298
DOI: 10.1016/J.JMB.2013.07.030
Page generated: Sun Aug 11 18:23:58 2024

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