Atomistry » Iridium » PDB 5e1u-7onm » 6gmi
Atomistry »
  Iridium »
    PDB 5e1u-7onm »
      6gmi »

Iridium in PDB 6gmi: Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm.

Protein crystallography data

The structure of Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm., PDB code: 6gmi was solved by J.G.Rebelein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.07 / 1.60
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 57.507, 57.507, 184.130, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 19.9

Other elements in 6gmi:

The structure of Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iridium Binding Sites:

The binding sites of Iridium atom in the Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm. (pdb code 6gmi). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total 5 binding sites of Iridium where determined in the Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm., PDB code: 6gmi:
Jump to Iridium binding site number: 1; 2; 3; 4; 5;

Iridium binding site 1 out of 5 in 6gmi

Go back to Iridium Binding Sites List in 6gmi
Iridium binding site 1 out of 5 in the Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm.


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 1 of Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir201

b:45.2
occ:0.80
IR1 A:4IR201 0.0 45.2 0.8
N5 A:4IR201 2.1 47.1 1.0
N4 A:4IR201 2.1 42.2 1.0
C19 A:4IR201 2.1 46.8 0.8
C18 A:4IR201 2.1 46.3 0.8
C20 A:4IR201 2.1 51.7 0.8
C17 A:4IR201 2.1 47.8 0.8
C21 A:4IR201 2.2 49.1 0.8
CL1 A:4IR201 2.4 57.0 0.5
C28 A:4IR201 3.0 50.6 1.0
C27 A:4IR201 3.1 46.2 1.0
S2 A:4IR201 3.2 49.0 1.0
O3 A:4IR201 3.3 40.9 1.0
C24 A:4IR201 3.3 47.6 0.8
C22 A:4IR201 3.3 52.7 0.8
C23 A:4IR201 3.3 46.7 0.8
C25 A:4IR201 3.3 51.2 0.8
C26 A:4IR201 3.3 55.4 0.8
O4 A:4IR201 3.8 47.4 1.0
C16 A:4IR201 4.6 36.5 1.0
O A:ALA144 4.7 31.0 1.0

Iridium binding site 2 out of 5 in 6gmi

Go back to Iridium Binding Sites List in 6gmi
Iridium binding site 2 out of 5 in the Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm.


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 2 of Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir202

b:43.5
occ:1.00
NE2 A:HIS87 2.2 24.9 1.0
CD2 A:HIS87 3.1 33.0 1.0
CE1 A:HIS87 3.1 31.2 1.0
CG A:HIS87 4.3 26.8 1.0
ND1 A:HIS87 4.3 26.0 1.0

Iridium binding site 3 out of 5 in 6gmi

Go back to Iridium Binding Sites List in 6gmi
Iridium binding site 3 out of 5 in the Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm.


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 3 of Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir203

b:43.6
occ:0.40
IR A:IR3205 1.9 67.4 0.3
NE2 A:HIS150 2.9 43.0 1.0
CE1 A:HIS150 3.0 42.5 1.0
CD2 A:HIS150 4.0 36.5 1.0
O A:HOH334 4.1 33.7 1.0
ND1 A:HIS150 4.2 37.9 1.0
IR A:IR3204 4.4 88.5 0.3
CG A:HIS150 4.7 31.5 1.0

Iridium binding site 4 out of 5 in 6gmi

Go back to Iridium Binding Sites List in 6gmi
Iridium binding site 4 out of 5 in the Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm.


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 4 of Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir204

b:88.5
occ:0.30
IR A:IR3205 3.0 67.4 0.3
CE1 A:HIS150 3.0 42.5 1.0
ND1 A:HIS150 3.6 37.9 1.0
O A:HOH319 3.8 45.1 1.0
NE2 A:HIS150 4.1 43.0 1.0
IR A:IR3203 4.4 43.6 0.4
CG A:HIS150 4.9 31.5 1.0

Iridium binding site 5 out of 5 in 6gmi

Go back to Iridium Binding Sites List in 6gmi
Iridium binding site 5 out of 5 in the Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm.


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 5 of Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir205

b:67.4
occ:0.30
IR A:IR3203 1.9 43.6 0.4
CE1 A:HIS150 2.7 42.5 1.0
IR A:IR3204 3.0 88.5 0.3
NE2 A:HIS150 3.4 43.0 1.0
ND1 A:HIS150 3.7 37.9 1.0
CD2 A:HIS150 4.5 36.5 1.0
CG A:HIS150 4.7 31.5 1.0
O A:HOH334 4.8 33.7 1.0
O A:HIS150 4.8 25.5 1.0
O A:HOH319 4.9 45.1 1.0

Reference:

J.Zhao, J.G.Rebelein, H.Mallin, C.Trindler, M.M.Pellizzoni, T.R.Ward. Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in Escherichia Coli'S Periplasm. J. Am. Chem. Soc. V. 140 13171 2018.
ISSN: ESSN 1520-5126
PubMed: 30272972
DOI: 10.1021/JACS.8B07189
Page generated: Mon Aug 12 03:41:03 2024

Last articles

Cl in 3O0Q
Cl in 3O0N
Cl in 3O0G
Cl in 3NYQ
Cl in 3NZA
Cl in 3NXQ
Cl in 3NYX
Cl in 3NXS
Cl in 3NWB
Cl in 3NW9
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy