Calcium in PDB 7tln: Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor

Enzymatic activity of Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor

All present enzymatic activity of Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor:
3.4.24.27;

Protein crystallography data

The structure of Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor, PDB code: 7tln was solved by B.W.Matthews, M.A.Holmes, D.E.Tronrud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.30
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 94.200, 94.200, 131.400, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Other elements in 7tln:

The structure of Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor (pdb code 7tln). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor, PDB code: 7tln:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 7tln

Go back to Calcium Binding Sites List in 7tln
Calcium binding site 1 out of 4 in the Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca317

b:14.5
occ:1.00
 O A:GLU187 2.5 14.6 1.0
OD1 A:ASP138 2.5 16.1 1.0
OE2 A:GLU190 2.5 9.1 1.0
O A:HOH346 2.6 4.6 1.0
OD2 A:ASP185 2.6 16.2 1.0
OE1 A:GLU190 2.6 1.9 1.0
OE1 A:GLU177 2.6 14.4 1.0
OE2 A:GLU177 2.7 10.8 1.0
CD A:GLU190 2.8 10.2 1.0
CD A:GLU177 3.0 10.5 1.0
CG A:ASP185 3.5 7.8 1.0
CG A:ASP138 3.5 6.0 1.0
C A:GLU187 3.5 12.0 1.0
OD1 A:ASP185 3.6 14.5 1.0
CA A:CA318 3.7 18.8 1.0
CB A:ASP138 4.0 1.0 1.0
O A:HOH469 4.2 32.4 1.0
N A:GLU187 4.2 8.1 1.0
CA A:GLU187 4.3 17.6 1.0
CG A:GLU190 4.3 3.1 1.0
OD2 A:ASP138 4.3 9.0 1.0
N A:ILE188 4.3 9.2 1.0
O A:ASP185 4.3 9.2 1.0
CG A:GLU177 4.5 4.4 1.0
CA A:ILE188 4.5 17.1 1.0
CB A:GLU187 4.5 17.3 1.0
O A:HOH350 4.5 13.3 1.0
C A:ASP185 4.6 7.0 1.0
N A:GLY189 4.7 17.2 1.0
CB A:ASP185 4.8 13.1 1.0
N A:ASP185 4.8 12.3 1.0
O A:HOH353 4.9 3.8 1.0
CB A:GLU177 5.0 5.4 1.0
CA A:ASP185 5.0 6.1 1.0

Calcium binding site 2 out of 4 in 7tln

Go back to Calcium Binding Sites List in 7tln
Calcium binding site 2 out of 4 in the Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca318

b:18.8
occ:1.00
 O A:HOH475 2.2 24.4 1.0
O A:HOH353 2.3 3.8 1.0
OE2 A:GLU190 2.4 9.1 1.0
OE2 A:GLU177 2.4 10.8 1.0
OD1 A:ASP185 2.4 14.5 1.0
O A:ASN183 2.4 19.2 1.0
CD A:GLU177 3.2 10.5 1.0
CG A:ASP185 3.4 7.8 1.0
CD A:GLU190 3.4 10.2 1.0
C A:ASN183 3.6 17.2 1.0
CA A:CA317 3.7 14.5 1.0
OE1 A:GLU177 3.8 14.4 1.0
O A:LYS182 3.8 23.9 1.0
OD2 A:ASP185 3.8 16.2 1.0
CG A:GLU190 3.9 3.1 1.0
OD2 A:ASP191 4.1 8.9 1.0
CG A:GLU177 4.2 4.4 1.0
CB A:ASN183 4.3 21.9 1.0
CA A:PRO184 4.3 3.4 1.0
N A:ASP185 4.3 12.3 1.0
OE1 A:GLU190 4.4 1.9 1.0
N A:PRO184 4.4 12.8 1.0
O A:HOH469 4.4 32.4 1.0
OD1 A:ASP191 4.4 3.4 1.0
C A:PRO184 4.4 12.7 1.0
CB A:ASP185 4.5 13.1 1.0
CG A:ASP191 4.5 7.8 1.0
CA A:ASN183 4.5 15.6 1.0
ND2 A:ASN183 4.8 35.0 1.0
C A:LYS182 4.9 23.0 1.0

Calcium binding site 3 out of 4 in 7tln

Go back to Calcium Binding Sites List in 7tln
Calcium binding site 3 out of 4 in the Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca319

b:10.2
occ:1.00
 O A:GLN61 2.2 10.2 1.0
OD1 A:ASP57 2.2 9.3 1.0
O A:HOH419 2.4 20.5 1.0
O A:HOH503 2.4 14.5 1.0
OD1 A:ASP59 2.4 19.5 1.0
O A:HOH482 2.4 15.4 1.0
OD2 A:ASP57 2.7 14.4 1.0
CG A:ASP57 2.8 12.4 1.0
C A:GLN61 3.3 15.8 1.0
CG A:ASP59 3.4 16.5 1.0
OD2 A:ASP59 3.8 10.5 1.0
N A:GLN61 3.9 13.5 1.0
CA A:GLN61 4.1 15.9 1.0
O A:HOH484 4.1 19.8 1.0
CB A:ASP57 4.3 7.6 1.0
N A:ASP59 4.4 10.1 1.0
N A:PHE62 4.4 14.4 1.0
CB A:GLN61 4.5 18.7 1.0
O A:HOH508 4.5 18.7 1.0
OD2 A:ASP67 4.6 7.5 1.0
CB A:ASP59 4.6 9.1 1.0
CA A:PHE62 4.7 16.6 1.0
N A:ASN60 4.7 10.1 1.0
O A:HOH356 4.7 8.5 1.0
CA A:ASP59 4.8 5.9 1.0
N A:ALA58 4.9 5.4 1.0
C A:ASP59 4.9 13.7 1.0

Calcium binding site 4 out of 4 in 7tln

Go back to Calcium Binding Sites List in 7tln
Calcium binding site 4 out of 4 in the Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structural Analysis of the Inhibition of Thermolysin By An Active- Site-Directed Irreversible Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca320

b:14.5
occ:1.00
 OD1 A:ASP200 2.2 10.8 1.0
O A:HOH480 2.3 25.6 1.0
OG1 A:THR194 2.4 18.2 1.0
O A:ILE197 2.4 31.9 1.0
O A:HOH354 2.4 5.2 1.0
O A:TYR193 2.5 11.1 1.0
O A:THR194 2.6 16.0 1.0
CG A:ASP200 3.3 9.4 1.0
C A:THR194 3.3 23.4 1.0
C A:TYR193 3.4 12.2 1.0
C A:ILE197 3.5 28.8 1.0
CB A:THR194 3.6 13.0 1.0
CA A:THR194 3.8 14.6 1.0
OD2 A:ASP200 3.8 16.7 1.0
N A:THR194 3.9 12.8 1.0
CA A:ILE197 4.2 23.5 1.0
O A:ASP200 4.2 20.5 1.0
CB A:ILE197 4.3 23.4 1.0
N A:ILE197 4.3 26.1 1.0
N A:PRO195 4.4 13.5 1.0
N A:SER198 4.4 24.6 1.0
O A:GLU190 4.4 10.1 1.0
N A:ASP200 4.6 24.6 1.0
CA A:TYR193 4.6 4.5 1.0
CB A:ASP200 4.6 11.9 1.0
CD2 A:TYR193 4.6 10.8 1.0
C A:ASP200 4.6 9.6 1.0
CA A:SER198 4.7 25.1 1.0
CB A:TYR193 4.7 6.6 1.0
CA A:ASP200 4.8 13.5 1.0
CG2 A:THR194 4.9 4.7 1.0
CA A:PRO195 4.9 18.2 1.0
C A:SER198 5.0 25.6 1.0
O A:HOH505 5.0 48.2 1.0
CG A:TYR193 5.0 9.8 1.0

Reference:

M.A.Holmes, D.E.Tronrud, B.W.Matthews. Structural Analysis of the Inhibition of Thermolysin By An Active-Site-Directed Irreversible Inhibitor. Biochemistry V. 22 236 1983.
ISSN: ISSN 0006-2960
PubMed: 6830761
DOI: 10.1021/BI00270A034
Page generated: Sat Dec 12 08:08:09 2020

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