Calcium in PDB 7zbv: Crystal Structure of the Peptidase Domain of Collagenase G From Clostridium Histolyticum in Complex with A Diphosphonate-Based Inhibitor

Enzymatic activity of Crystal Structure of the Peptidase Domain of Collagenase G From Clostridium Histolyticum in Complex with A Diphosphonate-Based Inhibitor

All present enzymatic activity of Crystal Structure of the Peptidase Domain of Collagenase G From Clostridium Histolyticum in Complex with A Diphosphonate-Based Inhibitor:
3.4.24.3;

Protein crystallography data

The structure of Crystal Structure of the Peptidase Domain of Collagenase G From Clostridium Histolyticum in Complex with A Diphosphonate-Based Inhibitor, PDB code: 7zbv was solved by E.Schoenauer, H.Brandstetter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.76 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.267, 77.787, 97.319, 90, 90, 90
R / Rfree (%) 18.7 / 22.9

Other elements in 7zbv:

The structure of Crystal Structure of the Peptidase Domain of Collagenase G From Clostridium Histolyticum in Complex with A Diphosphonate-Based Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Chlorine (Cl) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Peptidase Domain of Collagenase G From Clostridium Histolyticum in Complex with A Diphosphonate-Based Inhibitor (pdb code 7zbv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Peptidase Domain of Collagenase G From Clostridium Histolyticum in Complex with A Diphosphonate-Based Inhibitor, PDB code: 7zbv:

Calcium binding site 1 out of 1 in 7zbv

Go back to Calcium Binding Sites List in 7zbv
Calcium binding site 1 out of 1 in the Crystal Structure of the Peptidase Domain of Collagenase G From Clostridium Histolyticum in Complex with A Diphosphonate-Based Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Peptidase Domain of Collagenase G From Clostridium Histolyticum in Complex with A Diphosphonate-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca805

b:50.9
occ:1.00
 O A:ALA531 2.3 25.9 1.0
O A:GLY537 2.4 65.7 1.0
O A:VAL535 2.4 39.8 1.0
O A:HOH963 2.4 33.4 1.0
O A:HOH938 2.5 40.1 1.0
HA A:ALA531 3.0 34.9 1.0
OE2 A:GLU498 3.0 65.7 1.0
C A:ALA531 3.3 30.6 1.0
HB1 A:ALA531 3.4 42.4 1.0
CA A:ALA531 3.5 29.0 1.0
C A:GLY537 3.5 64.7 1.0
C A:VAL535 3.6 35.0 1.0
CD A:GLU498 3.8 65.8 1.0
OE1 A:GLU498 3.9 56.1 1.0
HB A:VAL535 3.9 44.0 1.0
N A:GLY537 3.9 52.4 1.0
CB A:ALA531 3.9 35.2 1.0
H A:GLY537 3.9 62.9 1.0
HA A:LEU538 3.9 86.1 1.0
HA A:ASP536 4.0 57.1 1.0
C A:ASP536 4.1 49.8 1.0
HB2 A:ALA531 4.2 42.4 1.0
CA A:GLY537 4.3 55.1 1.0
HG12 A:VAL535 4.3 47.1 1.0
CA A:ASP536 4.4 47.6 1.0
N A:LEU538 4.5 74.2 1.0
N A:ASP536 4.5 41.2 1.0
O A:ASP536 4.5 42.0 1.0
N A:ARG532 4.5 25.5 1.0
H A:VAL535 4.5 31.8 1.0
HA A:ARG532 4.6 30.5 1.0
CA A:LEU538 4.6 71.7 1.0
CB A:VAL535 4.6 36.6 1.0
CA A:VAL535 4.6 30.8 1.0
OE2 A:GLU460 4.7 61.9 1.0
H A:TRP539 4.7 80.0 1.0
O A:HOH949 4.7 34.0 1.0
HD12 A:LEU459 4.7 45.0 1.0
HB3 A:ALA531 4.7 42.4 1.0
HA2 A:GLY537 4.7 66.2 1.0
O A:GLN530 4.8 24.3 1.0
HD23 A:LEU538 4.8 79.5 1.0
N A:ALA531 4.8 24.4 1.0
N A:VAL535 4.9 26.5 1.0
C A:LEU538 4.9 66.5 1.0
N A:TRP539 4.9 66.6 1.0
CG1 A:VAL535 5.0 39.2 1.0

Reference:

A.Alhayek, A.S.Abdelsamie, E.Schonauer, V.Camberlein, E.Hutterer, G.Posselt, J.Serwanja, C.Blochl, C.G.Huber, J.Haupenthal, H.Brandstetter, S.Wessler, A.K.H.Hirsch. Discovery and Characterization of Synthesized and Fda-Approved Inhibitors of Clostridial and Bacillary Collagenases. J.Med.Chem. V. 65 12933 2022.
ISSN: ISSN 0022-2623
PubMed: 36154055
DOI: 10.1021/ACS.JMEDCHEM.2C00785
Page generated: Fri Jul 19 06:31:05 2024

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