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

Iridium in PDB 6esu: Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M

Protein crystallography data

The structure of Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M, PDB code: 6esu was solved by M.Hestericova, T.Heinisch, L.Alonso-Cotchico, J.-D.Marechal, P.Vidossich, T.R.Ward, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.98 / 1.78
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 57.801, 57.801, 178.273, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 21.1

Iridium Binding Sites:

The binding sites of Iridium atom in the Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M (pdb code 6esu). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total 4 binding sites of Iridium where determined in the Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M, PDB code: 6esu:
Jump to Iridium binding site number: 1; 2; 3; 4;

Iridium binding site 1 out of 4 in 6esu

Go back to Iridium Binding Sites List in 6esu
Iridium binding site 1 out of 4 in the Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 1 of Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir401

b:63.6
occ:0.38
NE2 A:HIS127 2.6 58.8 1.0
CD2 A:HIS127 3.2 58.5 1.0
CE1 A:HIS127 3.7 58.9 1.0
IR A:IR402 3.9 80.4 0.7
O A:HOH515 3.9 53.9 1.0
CG A:HIS127 4.4 44.3 1.0
ND1 A:HIS127 4.7 60.6 1.0

Iridium binding site 2 out of 4 in 6esu

Go back to Iridium Binding Sites List in 6esu
Iridium binding site 2 out of 4 in the Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 2 of Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir402

b:80.4
occ:0.70
CE1 A:HIS127 2.7 58.9 1.0
NE2 A:HIS127 2.9 58.8 1.0
O A:HOH527 3.7 48.4 1.0
ND1 A:HIS127 3.8 60.6 1.0
IR A:IR401 3.9 63.6 0.4
CD2 A:HIS127 4.1 58.5 1.0
CG A:HIS127 4.6 44.3 1.0

Iridium binding site 3 out of 4 in 6esu

Go back to Iridium Binding Sites List in 6esu
Iridium binding site 3 out of 4 in the Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 3 of Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir403

b:0.3
occ:0.64
CE1 A:HIS87 2.6 65.2 1.0
NE2 A:HIS87 3.1 65.7 1.0
ND1 A:HIS87 3.5 64.4 1.0
CD2 A:HIS87 4.2 62.5 1.0
CG A:HIS87 4.4 65.1 1.0

Iridium binding site 4 out of 4 in 6esu

Go back to Iridium Binding Sites List in 6esu
Iridium binding site 4 out of 4 in the Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 4 of Artificial Imine Reductase Mutant S112A-N118P-K121A-S122M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir404

b:61.2
occ:0.20
O A:ALA119 2.5 60.3 1.0
SD A:MET122 2.7 50.6 0.2
SD A:MET122 2.9 58.8 0.8
CB A:ALA119 3.2 73.2 1.0
C A:ALA119 3.2 64.2 1.0
CG A:MET122 3.2 50.7 0.8
CA A:ALA119 3.5 68.3 1.0
CE A:MET122 3.5 59.8 0.8
CB A:MET122 3.8 46.0 0.8
CB A:MET122 3.9 44.0 0.2
CG A:MET122 3.9 45.5 0.2
CE A:MET122 4.2 49.4 0.2
N A:TRP120 4.3 53.8 1.0
CA A:TRP120 5.0 56.4 1.0

Reference:

M.Hestericova, T.Heinisch, L.Alonso-Cotchico, J.D.Marechal, P.Vidossich, T.R.Ward. Directed Evolution of An Artificial Imine Reductase. Angew. Chem. Int. Ed. Engl. V. 57 1863 2018.
ISSN: ESSN 1521-3773
PubMed: 29265726
DOI: 10.1002/ANIE.201711016
Page generated: Mon Aug 12 03:41:00 2024

Last articles

Hg in 2W9M
Hg in 2QFD
Hg in 2V7E
Hg in 2VOX
Hg in 2V9Q
Hg in 2TPI
Hg in 2V66
Hg in 2V0G
Hg in 2RT8
Hg in 2QLT
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy