Atomistry » Zinc » PDB 2xxh-2y7d » 2y6d
Atomistry »
  Zinc »
    PDB 2xxh-2y7d »
      2y6d »

Zinc in PDB 2y6d: The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger

Enzymatic activity of The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger

All present enzymatic activity of The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger:
3.4.24.23;

Protein crystallography data

The structure of The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger, PDB code: 2y6d was solved by K.Edman, M.Furber, P.Hemsley, C.Johansson, G.Pairaudeau, J.Petersen, M.Stocks, A.Tervo, A.Ward, E.Wells, L.Wissler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.15 / 1.60
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 76.590, 76.590, 60.924, 90.00, 90.00, 90.00
R / Rfree (%) 19.644 / 21.61

Other elements in 2y6d:

The structure of The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Bromine (Br) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger (pdb code 2y6d). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger, PDB code: 2y6d:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2y6d

Go back to Zinc Binding Sites List in 2y6d
Zinc binding site 1 out of 2 in the The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1267

b:10.1
occ:1.00
OD2 A:ASP170 1.9 10.1 1.0
NE2 A:HIS168 2.0 8.0 1.0
NE2 A:HIS183 2.1 11.7 1.0
ND1 A:HIS196 2.1 11.8 1.0
CG A:ASP170 2.9 13.1 1.0
CD2 A:HIS168 2.9 9.6 1.0
CE1 A:HIS196 3.0 9.7 1.0
CE1 A:HIS183 3.0 11.9 1.0
CE1 A:HIS168 3.1 10.6 1.0
CD2 A:HIS183 3.1 9.2 1.0
CG A:HIS196 3.1 9.3 1.0
OD1 A:ASP170 3.2 12.1 1.0
CB A:HIS196 3.5 9.2 1.0
CG A:HIS168 4.1 10.1 1.0
NE2 A:HIS196 4.1 9.9 1.0
ND1 A:HIS168 4.1 9.4 1.0
ND1 A:HIS183 4.2 12.3 1.0
O A:TYR172 4.2 14.8 1.0
CD2 A:HIS196 4.2 10.5 1.0
CG A:HIS183 4.2 9.7 1.0
CB A:ASP170 4.3 15.0 1.0
CE2 A:PHE185 4.3 16.7 1.0
CZ A:PHE185 4.4 18.3 1.0
O A:HOH2047 4.8 30.9 1.0
CZ A:PHE174 4.8 11.5 1.0
CE2 A:PHE174 4.8 11.1 1.0
O A:HOH2050 4.8 12.3 1.0
CB A:TYR172 4.9 17.3 1.0
CA A:HIS196 5.0 9.0 1.0
C A:TYR172 5.0 15.4 1.0

Zinc binding site 2 out of 2 in 2y6d

Go back to Zinc Binding Sites List in 2y6d
Zinc binding site 2 out of 2 in the The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1268

b:13.8
occ:1.00
NE2 A:HIS229 1.9 11.5 1.0
NE2 A:HIS219 2.0 10.6 1.0
NE2 A:HIS223 2.1 11.3 1.0
O17 A:TQJ1271 2.2 35.2 1.0
O21 A:TQJ1271 2.6 34.6 1.0
CD2 A:HIS229 2.8 14.4 1.0
CD2 A:HIS219 2.9 9.5 1.0
CE1 A:HIS223 3.0 13.2 1.0
CE1 A:HIS229 3.0 16.1 1.0
N13 A:TQJ1271 3.0 36.0 1.0
C16 A:TQJ1271 3.1 35.4 1.0
CE1 A:HIS219 3.1 10.3 1.0
CD2 A:HIS223 3.1 12.1 1.0
CG A:HIS229 4.0 15.7 1.0
O A:HOH2104 4.0 30.6 1.0
ND1 A:HIS229 4.1 16.2 1.0
CG A:HIS219 4.1 9.9 1.0
ND1 A:HIS219 4.1 9.7 1.0
ND1 A:HIS223 4.1 12.8 1.0
CG A:HIS223 4.2 10.5 1.0
O A:HOH2057 4.3 25.4 1.0
C10 A:TQJ1271 4.4 36.7 1.0
OE2 A:GLU220 4.4 23.2 1.0
N1 A:TQJ1271 4.7 39.1 1.0
C12 A:TQJ1271 4.7 36.9 1.0
CE A:MET237 4.8 12.6 1.0

Reference:

K.Edman, M.Furber, P.Hemsley, C.Johansson, G.Pairaudeau, J.Petersen, M.Stocks, A.Tervo, A.Ward, E.Wells, L.Wissler. The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger. Chemmedchem V. 6 769 2011.
ISSN: ISSN 1860-7179
PubMed: 21520417
DOI: 10.1002/CMDC.201000550
Page generated: Thu Oct 17 05:44:58 2024

Last articles

Zn in 7WQL
Zn in 7WNH
Zn in 7WN8
Zn in 7WSG
Zn in 7WSH
Zn in 7WNU
Zn in 7WSF
Zn in 7WSE
Zn in 7WRH
Zn in 7WRI
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy