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Calcium 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:

Zinc (Zn) 2 atoms

Calcium Binding Sites:

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

Calcium binding site 1 out of 2 in 1htd

Go back to Calcium Binding Sites List in 1htd
Calcium 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 Calcium with other atoms in the Ca 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:Ca403

b:18.9
occ:1.00
O A:HOH430 1.8 31.2 1.0
O A:HOH416 1.8 33.4 1.0
O A:CYS197 2.2 27.2 1.0
OE1 A:GLU9 2.3 36.6 1.0
OD1 A:ASP93 2.4 27.1 1.0
OD2 A:ASP93 2.5 34.3 1.0
OD1 A:ASN200 2.5 25.3 1.0
CG A:ASP93 2.8 14.5 1.0
C A:CYS197 3.4 11.5 1.0
CD A:GLU9 3.4 6.5 1.0
CG A:ASN200 3.6 15.2 1.0
CG A:GLU9 4.0 5.0 1.0
O A:HOH454 4.0 38.4 1.0
CA A:CYS197 4.1 14.1 1.0
ND2 A:ASN200 4.2 16.1 1.0
CB A:ASP93 4.4 25.1 1.0
N A:ILE198 4.4 26.0 1.0
CB A:CYS197 4.4 20.4 1.0
O A:TYR7 4.4 18.8 1.0
OE2 A:GLU9 4.5 60.6 1.0
CB A:GLU9 4.5 15.4 1.0
CA A:ILE198 4.5 14.3 1.0
O A:ASN200 4.6 29.6 1.0
CB A:ASN200 4.9 5.5 1.0
N A:ASN200 4.9 26.3 1.0
N A:GLU9 4.9 26.5 1.0
SG A:CYS197 4.9 22.7 1.0

Calcium binding site 2 out of 2 in 1htd

Go back to Calcium Binding Sites List in 1htd
Calcium 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 Calcium with other atoms in the Ca 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:Ca404

b:24.1
occ:1.00
O B:HOH349 1.8 26.0 1.0
O B:CYS197 2.3 26.4 1.0
OD1 B:ASN200 2.3 22.7 1.0
OE1 B:GLU9 2.4 29.8 1.0
OD1 B:ASP93 2.4 30.5 1.0
OD2 B:ASP93 2.5 20.0 1.0
O B:HOH357 2.7 34.7 1.0
CG B:ASP93 2.9 30.3 1.0
CG B:ASN200 3.4 23.3 1.0
C B:CYS197 3.5 14.6 1.0
CD B:GLU9 3.5 9.8 1.0
ND2 B:ASN200 3.9 17.9 1.0
CG B:GLU9 4.0 16.9 1.0
CA B:CYS197 4.2 9.6 1.0
O B:TYR7 4.4 27.1 1.0
CB B:CYS197 4.4 9.3 1.0
CB B:ASP93 4.4 24.0 1.0
N B:ILE198 4.4 18.3 1.0
CB B:GLU9 4.4 18.3 1.0
CA B:ILE198 4.5 12.3 1.0
O B:HOH333 4.5 39.7 1.0
OE2 B:GLU9 4.5 28.7 1.0
O B:ASN200 4.6 20.0 1.0
O B:HOH321 4.6 26.5 1.0
CB B:ASN200 4.7 8.7 1.0
O B:HOH332 4.8 24.5 1.0
N B:GLU9 4.8 32.9 1.0
N B:ASN200 4.9 18.2 1.0
SG B:CYS197 4.9 16.0 1.0
N B:LEU199 5.0 22.7 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: Thu Jul 11 10:09:15 2024

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