Atomistry » Zinc » PDB 5hp3-5i3m » 5i12
Atomistry »
  Zinc »
    PDB 5hp3-5i3m »
      5i12 »

Zinc in PDB 5i12: Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27).

Enzymatic activity of Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27).

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27).:
3.4.24.35;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27)., PDB code: 5i12 was solved by E.A.Stura, L.Rosalia, D.Cuffaro, L.Tepshi, L.Ciccone, A.Rossello, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.26 / 1.59
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 39.560, 39.560, 163.550, 90.00, 90.00, 120.00
R / Rfree (%) 18.8 / 22.8

Other elements in 5i12:

The structure of Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27). also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27). (pdb code 5i12). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27)., PDB code: 5i12:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5i12

Go back to Zinc Binding Sites List in 5i12
Zinc binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27).


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:27.4
occ:1.00
O98 A:H27306 1.9 29.9 1.0
NE2 A:HIS226 2.0 22.2 1.0
NE2 A:HIS230 2.0 27.1 1.0
NE2 A:HIS236 2.1 28.3 1.0
C A:H27306 2.6 33.1 1.0
OZ2 A:H27306 2.8 27.9 1.0
CE1 A:HIS226 2.9 23.3 1.0
CE1 A:HIS230 3.0 30.7 1.0
CD2 A:HIS236 3.0 28.9 1.0
CD2 A:HIS226 3.0 23.5 1.0
CD2 A:HIS230 3.0 22.4 1.0
CE1 A:HIS236 3.2 38.1 1.0
ND1 A:HIS226 4.0 27.7 1.0
CZA A:H27306 4.1 24.8 1.0
ND1 A:HIS230 4.1 27.5 1.0
CG A:HIS226 4.1 22.3 1.0
CG A:HIS230 4.2 26.5 1.0
CG A:HIS236 4.2 32.5 1.0
ND1 A:HIS236 4.2 31.4 1.0
NA A:H27306 4.6 30.2 1.0
C24 A:H27306 4.7 33.1 1.0
OE2 A:GLU227 4.7 23.5 1.0
CC2 A:H27306 4.7 45.0 1.0
C14 A:H27306 4.7 25.5 1.0
C13 A:H27306 4.7 29.2 1.0
CZ1 A:H27306 4.8 36.1 1.0
C12 A:H27306 4.9 25.2 1.0
C15 A:H27306 4.9 22.1 1.0
CE A:MET244 4.9 29.2 1.0
O A:HOH402 4.9 38.6 0.5
C17 A:H27306 4.9 25.9 1.0
C16 A:H27306 5.0 30.9 1.0

Zinc binding site 2 out of 2 in 5i12

Go back to Zinc Binding Sites List in 5i12
Zinc binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27).


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Catalytic Domain of Mmp-9 in Complex with A Selective Sugar-Conjugated Arylsulfonamide Carboxylate Water-Soluble Inhibitor (DC27). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:25.4
occ:1.00
OD2 A:ASP177 2.0 25.3 1.0
ND1 A:HIS203 2.0 22.3 1.0
NE2 A:HIS190 2.1 25.7 1.0
NE2 A:HIS175 2.1 20.8 1.0
CG A:ASP177 2.9 23.5 1.0
CE1 A:HIS190 2.9 28.2 1.0
CD2 A:HIS175 2.9 21.0 1.0
CE1 A:HIS203 3.0 23.6 1.0
CG A:HIS203 3.1 22.5 1.0
CE1 A:HIS175 3.1 27.1 1.0
CD2 A:HIS190 3.2 22.1 1.0
OD1 A:ASP177 3.2 28.3 1.0
CB A:HIS203 3.4 19.5 1.0
ND1 A:HIS190 4.1 25.4 1.0
NE2 A:HIS203 4.1 24.3 1.0
CG A:HIS175 4.1 23.8 1.0
CD2 A:HIS203 4.2 21.9 1.0
ND1 A:HIS175 4.2 22.5 1.0
CG A:HIS190 4.2 26.9 1.0
CB A:ASP177 4.3 23.4 1.0
O A:TYR179 4.4 30.0 1.0
CE1 A:PHE192 4.5 31.9 1.0
CZ A:PHE181 4.6 22.2 1.0
O A:HOH457 4.7 43.3 1.0
O A:HOH432 4.7 28.3 1.0
CZ A:PHE192 4.7 42.2 1.0
CE2 A:PHE181 4.9 18.7 1.0
CA A:HIS203 4.9 20.0 1.0

Reference:

E.Nuti, D.Cuffaro, F.D'andrea, L.Rosalia, L.Tepshi, M.Fabbi, G.Carbotti, S.Ferrini, S.Santamaria, C.Camodeca, L.Ciccone, E.Orlandini, S.Nencetti, E.A.Stura, V.Dive, A.Rossello. Sugar-Based Arylsulfonamide Carboxylates As Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. Chemmedchem V. 11 1626 2016.
ISSN: ESSN 1860-7187
PubMed: 27356908
DOI: 10.1002/CMDC.201600235
Page generated: Thu Aug 21 03:14:49 2025

Last articles

Zn in 5RLJ
Zn in 5RLL
Zn in 5RLK
Zn in 5RLI
Zn in 5RLH
Zn in 5RLG
Zn in 5RLF
Zn in 5RLE
Zn in 5RLD
Zn in 5RLB
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy