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Zinc in PDB 1htd: Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D)

Enzymatic activity of Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D)

All present enzymatic activity of Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D):
3.4.24.42;

Protein crystallography data

The structure of Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D), PDB code: 1htd was solved by D.Zhang, I.Botos, F.-X.Gomis-Rueth, R.Doll, C.Blood, F.G.Njoroge, J.W.Fox, W.Bode, E.F.Meyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.10
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 97.320, 97.320, 87.760, 90.00, 90.00, 120.00
R / Rfree (%) 18 / n/a

Other elements in 1htd:

The structure of Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D) also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D) (pdb code 1htd). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D), PDB code: 1htd:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1htd

Go back to Zinc Binding Sites List in 1htd
Zinc binding site 1 out of 2 in the Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:20.3
occ:1.00
 NE2 A:HIS142 2.0 19.1 1.0
NE2 A:HIS152 2.0 24.3 1.0
NE2 A:HIS146 2.0 18.7 1.0
O A:HOH479 2.1 21.3 1.0
CE1 A:HIS152 3.0 24.6 1.0
CD2 A:HIS146 3.0 28.7 1.0
CE1 A:HIS142 3.0 9.9 1.0
CD2 A:HIS152 3.0 28.4 1.0
CD2 A:HIS142 3.0 13.5 1.0
CE1 A:HIS146 3.1 13.8 1.0
ND1 A:HIS152 4.1 28.8 1.0
CG A:HIS152 4.1 25.5 1.0
CG A:HIS146 4.2 19.4 1.0
ND1 A:HIS142 4.2 19.7 1.0
ND1 A:HIS146 4.2 24.4 1.0
CG A:HIS142 4.2 12.6 1.0
CE A:MET166 4.4 5.0 1.0
OE1 A:GLU143 4.7 19.1 1.0
OE2 A:GLU143 4.7 25.9 1.0
O A:ARG167 4.9 18.0 1.0

Zinc binding site 2 out of 2 in 1htd

Go back to Zinc Binding Sites List in 1htd
Zinc binding site 2 out of 2 in the Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Ht-D) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:23.0
occ:1.00
 NE2 B:HIS146 2.0 22.9 1.0
NE2 B:HIS142 2.0 12.7 1.0
NE2 B:HIS152 2.0 18.0 1.0
O B:HOH302 2.1 23.1 1.0
CD2 B:HIS142 3.0 22.4 1.0
CE1 B:HIS146 3.0 29.4 1.0
CD2 B:HIS152 3.0 28.1 1.0
CE1 B:HIS152 3.0 23.3 1.0
CE1 B:HIS142 3.1 24.4 1.0
CD2 B:HIS146 3.1 8.4 1.0
ND1 B:HIS146 4.2 14.5 1.0
ND1 B:HIS152 4.2 28.4 1.0
CG B:HIS142 4.2 5.0 1.0
CG B:HIS152 4.2 16.3 1.0
ND1 B:HIS142 4.2 14.9 1.0
CG B:HIS146 4.2 10.4 1.0
OE2 B:GLU143 4.6 27.1 1.0
CE B:MET166 4.8 9.8 1.0
OE1 B:GLU143 4.8 21.1 1.0

Reference:

D.Zhang, I.Botos, F.X.Gomis-Ruth, R.Doll, C.Blood, F.G.Njoroge, J.W.Fox, W.Bode, E.F.Meyer. Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Form D). Proc.Natl.Acad.Sci.Usa V. 91 8447 1994.
ISSN: ISSN 0027-8424
PubMed: 8078901
DOI: 10.1073/PNAS.91.18.8447
Page generated: Sun Oct 13 02:34:18 2024

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