Atomistry » Iridium » PDB 1c1k-5de8 » 4nhp
Atomistry »
  Iridium »
    PDB 1c1k-5de8 »
      4nhp »

Iridium in PDB 4nhp: X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days)

Enzymatic activity of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days)

All present enzymatic activity of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days):
3.2.1.17;

Protein crystallography data

The structure of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days), PDB code: 4nhp was solved by A.A.Petruk, D.E.Bikiel, A.Vergara, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.49 / 1.42
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.441, 78.441, 37.113, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 22.7

Other elements in 4nhp:

The structure of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) also contains other interesting chemical elements:

Chlorine (Cl) 12 atoms
Sodium (Na) 1 atom

Iridium Binding Sites:

The binding sites of Iridium atom in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) (pdb code 4nhp). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total 3 binding sites of Iridium where determined in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days), PDB code: 4nhp:
Jump to Iridium binding site number: 1; 2; 3;

Iridium binding site 1 out of 3 in 4nhp

Go back to Iridium Binding Sites List in 4nhp
Iridium binding site 1 out of 3 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days)


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 1 of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir1001

b:14.4
occ:0.50
 IR A:2T81001 0.0 14.4 0.5
C A:2T81001 2.0 12.5 0.5
CL2 A:2T81001 2.4 8.4 1.0
CL1 A:2T81001 2.5 9.4 1.0
O2 A:2T81001 2.6 12.9 0.5
O A:2T81001 3.2 14.0 0.5
O A:HOH1268 4.2 44.7 1.0
O A:HOH1182 4.4 24.0 1.0
NE A:ARG14 4.5 26.0 1.0
CA A:ALA11 4.8 11.6 1.0
CD A:ARG14 4.9 23.5 1.0
CB A:ALA11 4.9 10.7 1.0

Iridium binding site 2 out of 3 in 4nhp

Go back to Iridium Binding Sites List in 4nhp
Iridium binding site 2 out of 3 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days)


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 2 of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir1002

b:28.6
occ:0.65
 IR A:2T81002 0.0 28.6 0.7
C A:2T81002 1.9 19.8 0.7
O A:HOH1289 2.3 8.5 0.3
CL2 A:2T81002 2.3 17.3 0.7
CL4 A:2T81002 2.3 15.3 0.7
CL3 A:2T81002 2.3 14.1 0.7
CL1 A:2T81002 2.4 11.9 0.7
O2 A:2T81002 2.4 21.6 0.7
O A:HOH1290 2.9 9.3 0.3
O A:2T81002 3.0 23.4 0.7
CG2 A:VAL120 4.1 16.9 1.0
OG A:SER24 4.3 17.0 1.0
O A:HOH1134 4.7 19.7 1.0

Iridium binding site 3 out of 3 in 4nhp

Go back to Iridium Binding Sites List in 4nhp
Iridium binding site 3 out of 3 in the X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days)


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 3 of X-Ray Structure of the Complex Between the Hen Egg White Lysozyme and Pentachlorocarbonyliridate (III) (4 Days) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir1003

b:22.6
occ:0.45
 IR A:2T81003 0.0 22.6 0.5
C A:2T81003 1.8 13.3 0.5
CL2 A:2T81003 2.3 10.9 0.5
CL4 A:2T81003 2.3 14.3 0.5
CL3 A:2T81003 2.3 5.1 0.5
CL1 A:2T81003 2.3 7.8 0.5
O2 A:2T81003 2.4 14.6 0.5
O A:2T81003 2.9 17.3 0.5
ND2 A:ASN65 4.3 15.1 1.0
O A:HOH1120 4.7 13.8 1.0
CB A:PRO79 4.8 11.1 1.0
O A:HOH1143 4.9 21.3 1.0

Reference:

A.A.Petruk, A.Vergara, D.Marasco, D.E.Bikiel, F.Doctorovich, D.A.Estrin, A.Merlino. Interaction Between Proteins and Ir Based Co Releasing Molecules: Mechanism of Adduct Formation and Co Release To Be Published.
Page generated: Mon Aug 12 03:26:35 2024

Last articles

Fe in 8BGW
Fe in 8BHX
Fe in 8BF6
Fe in 8BEE
Fe in 8BEL
Fe in 8BED
Fe in 8BCX
Fe in 8BEF
Fe in 8BA0
Fe in 8B9Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy