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Calcium in PDB 1atl: Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Form-D)

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

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

Protein crystallography data

The structure of Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Form-D), PDB code: 1atl 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) 8.00 / 1.80
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 (%) 16 / n/a

Other elements in 1atl:

The structure of Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Form-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 (Form-D) (pdb code 1atl). 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 (Form-D), PDB code: 1atl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1atl

Go back to Calcium Binding Sites List in 1atl
Calcium binding site 1 out of 2 in the Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Form-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 (Form-D) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:12.4
occ:1.00
 O A:HOH814 1.9 13.3 1.0
O A:CYS197 2.3 15.3 1.0
OE1 A:GLU9 2.4 25.3 1.0
OD2 A:ASP93 2.4 14.8 1.0
OD1 A:ASN200 2.5 15.8 1.0
OD1 A:ASP93 2.5 13.0 1.0
CG A:ASP93 2.8 9.5 1.0
CD A:GLU9 3.3 7.6 1.0
C A:CYS197 3.5 5.0 1.0
CG A:ASN200 3.5 24.9 1.0
CG A:GLU9 3.6 9.6 1.0
ND2 A:ASN200 4.0 8.8 1.0
CB A:GLU9 4.3 9.7 1.0
CA A:CYS197 4.3 10.2 1.0
CB A:ASP93 4.3 7.7 1.0
N A:ILE198 4.4 5.0 1.0
CA A:ILE198 4.4 9.3 1.0
O A:TYR7 4.4 10.3 1.0
OE2 A:GLU9 4.5 36.3 1.0
O A:ASN200 4.5 16.2 1.0
CB A:CYS197 4.5 15.4 1.0
N A:GLU9 4.7 13.4 1.0
CB A:ASN200 4.8 5.0 1.0
N A:ASN200 4.8 9.7 1.0
C A:ILE198 4.9 12.4 1.0
SG A:CYS197 5.0 8.8 1.0

Calcium binding site 2 out of 2 in 1atl

Go back to Calcium Binding Sites List in 1atl
Calcium binding site 2 out of 2 in the Structural Interaction of Natural and Synthetic Inhibitors with the Venom Metalloproteinase, Atrolysin C (Form-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 (Form-D) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca404

b:13.3
occ:1.00
 O B:HOH834 1.5 32.3 1.0
O B:HOH921 1.8 19.9 1.0
O B:CYS197 2.4 12.7 1.0
OD1 B:ASN200 2.4 12.1 1.0
OD2 B:ASP93 2.5 14.1 1.0
OD1 B:ASP93 2.5 17.3 1.0
OE1 B:GLU9 2.5 17.8 1.0
CG B:ASP93 2.8 16.5 1.0
CD B:GLU9 3.4 22.1 1.0
CG B:ASN200 3.5 15.2 1.0
C B:CYS197 3.6 5.0 1.0
CG B:GLU9 3.7 13.0 1.0
O B:HOH838 3.9 26.5 1.0
ND2 B:ASN200 3.9 7.6 1.0
CB B:ASP93 4.3 9.1 1.0
CB B:GLU9 4.3 8.0 1.0
O B:TYR7 4.4 15.7 1.0
O B:ASN200 4.4 16.2 1.0
CA B:CYS197 4.4 12.6 1.0
CA B:ILE198 4.5 10.1 1.0
N B:ILE198 4.5 5.0 1.0
O B:HOH846 4.5 22.1 1.0
CB B:CYS197 4.6 22.1 1.0
OE2 B:GLU9 4.6 43.7 1.0
N B:GLU9 4.8 13.9 1.0
CB B:ASN200 4.8 15.2 1.0
N B:ASN200 4.8 8.0 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 06:03:58 2024

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