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Zinc in PDB 4a7g: Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group.

Enzymatic activity of Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group.

All present enzymatic activity of Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group.:
1.15.1.1;

Protein crystallography data

The structure of Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group., PDB code: 4a7g was solved by G.S.A.Wright, N.M.Kershaw, R.Sharma, S.V.Antonyuk, R.W.Strange, N.G.Berry, P.M.O'neil, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.33 / 1.24
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.793, 68.352, 49.920, 90.00, 104.49, 90.00
R / Rfree (%) 13.9 / 17.5

Other elements in 4a7g:

The structure of Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group. also contains other interesting chemical elements:

Copper (Cu) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group. (pdb code 4a7g). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group., PDB code: 4a7g:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4a7g

Go back to Zinc Binding Sites List in 4a7g
Zinc binding site 1 out of 2 in the Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1158

b:9.1
occ:1.00
OD1 A:ASP83 2.0 8.0 1.0
ND1 A:HIS80 2.0 8.1 1.0
ND1 A:HIS63 2.0 8.4 1.0
ND1 A:HIS71 2.1 9.6 1.0
CG A:ASP83 2.7 8.6 1.0
OD2 A:ASP83 2.8 9.5 1.0
CE1 A:HIS80 2.9 9.2 1.0
CE1 A:HIS71 2.9 9.5 1.0
CE1 A:HIS63 3.0 9.3 1.0
CG A:HIS63 3.1 9.1 1.0
CG A:HIS80 3.1 9.5 1.0
CG A:HIS71 3.2 9.9 1.0
CB A:HIS63 3.4 8.8 1.0
CB A:HIS80 3.6 8.6 1.0
CB A:HIS71 3.6 9.9 1.0
CA A:HIS71 3.9 10.5 1.0
O A:LYS136 4.0 12.9 0.4
O A:LYS136 4.0 12.5 0.6
NE2 A:HIS80 4.0 11.8 1.0
NE2 A:HIS71 4.1 9.7 1.0
NE2 A:HIS63 4.1 11.3 1.0
CD2 A:HIS80 4.1 10.9 1.0
CB A:ASP83 4.2 8.7 1.0
CD2 A:HIS63 4.2 10.2 1.0
CD2 A:HIS71 4.2 10.3 1.0
N A:HIS80 4.7 9.2 1.0
CA A:ASP83 4.7 8.7 1.0
N A:GLY72 4.7 10.2 1.0
CA A:HIS80 4.7 8.6 1.0
C A:HIS71 4.9 10.3 1.0
CD2 A:HIS46 4.9 10.0 1.0
O A:HOH2113 4.9 16.1 1.0
N A:HIS71 4.9 10.3 1.0
CA A:HIS63 4.9 8.8 1.0
N A:ASP83 4.9 8.4 1.0
C A:LYS136 5.0 13.1 0.4
C A:LYS136 5.0 12.9 0.6
O A:GLY72 5.0 11.5 1.0

Zinc binding site 2 out of 2 in 4a7g

Go back to Zinc Binding Sites List in 4a7g
Zinc binding site 2 out of 2 in the Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Human I113T SOD1 Mutant Complexed with 4-Methylpiperazin- 1-Yl)Quinazoline in the P21 Space Group. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn1157

b:9.5
occ:1.00
OD1 F:ASP83 2.0 9.5 1.0
ND1 F:HIS63 2.0 8.7 1.0
ND1 F:HIS80 2.0 9.8 1.0
ND1 F:HIS71 2.1 9.6 1.0
CG F:ASP83 2.7 9.6 1.0
OD2 F:ASP83 2.8 10.3 1.0
CE1 F:HIS80 2.9 9.9 1.0
CE1 F:HIS71 2.9 9.5 1.0
CE1 F:HIS63 3.0 9.7 1.0
CG F:HIS63 3.1 9.1 1.0
CG F:HIS80 3.1 11.2 1.0
CG F:HIS71 3.2 10.8 1.0
CB F:HIS63 3.4 9.0 1.0
CB F:HIS80 3.5 9.3 1.0
CB F:HIS71 3.6 10.5 1.0
CA F:HIS71 3.9 11.2 1.0
O F:LYS136 4.0 14.2 1.0
NE2 F:HIS80 4.0 11.4 1.0
NE2 F:HIS71 4.1 11.0 1.0
NE2 F:HIS63 4.1 11.5 1.0
CD2 F:HIS80 4.1 10.9 1.0
CB F:ASP83 4.2 10.2 1.0
CD2 F:HIS63 4.2 11.2 1.0
CD2 F:HIS71 4.2 10.9 1.0
N F:HIS80 4.7 9.8 1.0
CA F:ASP83 4.7 9.8 1.0
N F:GLY72 4.7 11.5 1.0
CA F:HIS80 4.7 9.2 1.0
CD2 F:HIS46 4.9 10.4 1.0
C F:HIS71 4.9 11.3 1.0
N F:HIS71 4.9 11.2 1.0
N F:ASP83 4.9 9.8 1.0
CA F:HIS63 4.9 8.4 1.0
C F:LYS136 5.0 13.8 1.0

Reference:

N.M.Kershaw, G.S.Wright, R.Sharma, S.V.Antonyuk, R.W.Strange, N.G.Berry, P.M.O'neill, S.S.Hasnain. X-Ray Crystallography and Computational Docking For the Detection and Development of Protein-Ligand Interactions. Curr.Med.Chem. V. 20 569 2013.
ISSN: ISSN 0929-8673
PubMed: 23278398
DOI: 10.2174/0929867311320040008
Page generated: Wed Dec 16 05:02:29 2020

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