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Bromine 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:

Zinc (Zn) 2 atoms
Calcium (Ca) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was determined in the The Discovery of MMP7 Inhibitors Exploiting A Novel Selectivity Trigger, PDB code: 2y6d:

Bromine binding site 1 out of 1 in 2y6d

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


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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:Br1271

b:52.6
occ:1.00
BR28 A:TQJ1271 0.0 52.6 1.0
C25 A:TQJ1271 1.9 47.5 1.0
C23 A:TQJ1271 2.8 46.5 1.0
C22 A:TQJ1271 2.8 46.6 1.0
CD1 A:TYR241 3.6 30.9 1.0
CA A:VAL236 3.9 13.7 1.0
CG1 A:VAL236 3.9 15.0 1.0
O A:VAL236 3.9 13.0 1.0
CE1 A:TYR241 4.0 31.9 1.0
CE1 A:PHE249 4.0 25.5 1.0
N19 A:TQJ1271 4.1 44.6 1.0
C18 A:TQJ1271 4.1 44.8 1.0
CB A:VAL236 4.3 13.8 1.0
O A:HOH2089 4.3 29.8 1.0
C A:VAL236 4.4 13.3 1.0
CB A:TYR215 4.4 12.7 1.0
CG2 A:VAL236 4.4 14.2 1.0
C14 A:TQJ1271 4.6 43.5 1.0
CG A:TYR241 4.6 29.6 1.0
CZ A:PHE249 4.8 24.8 1.0
O A:TYR215 4.8 11.5 1.0
O A:ALA235 4.9 14.2 1.0
CB A:TYR241 4.9 28.2 1.0
CD1 A:PHE249 4.9 25.3 1.0
N A:VAL236 5.0 13.8 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: Mon Jul 7 04:58:14 2025

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