Atomistry » Zinc » PDB 3ljm-3lsx » 3lk8
Atomistry »
  Zinc »
    PDB 3ljm-3lsx »
      3lk8 »

Zinc in PDB 3lk8: Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate

Enzymatic activity of Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate:
3.4.24.65;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate, PDB code: 3lk8 was solved by V.Calderone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.81 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 51.708, 60.251, 54.144, 90.00, 115.16, 90.00
R / Rfree (%) 16.8 / 20

Other elements in 3lk8:

The structure of Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate 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 Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate (pdb code 3lk8). 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 Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate, PDB code: 3lk8:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3lk8

Go back to Zinc Binding Sites List in 3lk8
Zinc binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate


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 Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn264

b:6.5
occ:1.00
 NE2 A:HIS218 2.0 2.7 1.0
NE2 A:HIS228 2.1 6.5 1.0
O4 A:Z790 2.1 10.2 1.0
NE2 A:HIS222 2.1 2.9 1.0
O5 A:Z790 2.3 5.3 1.0
C8 A:Z790 2.9 10.7 1.0
N2 A:Z790 3.0 8.2 1.0
CD2 A:HIS218 3.0 3.4 1.0
CE1 A:HIS228 3.1 6.7 1.0
CD2 A:HIS222 3.1 2.0 1.0
CE1 A:HIS218 3.1 2.8 1.0
CD2 A:HIS228 3.1 6.9 1.0
CE1 A:HIS222 3.2 4.6 1.0
O A:HOH9 4.0 7.1 1.0
OE1 A:GLU219 4.1 6.3 1.0
CG A:HIS218 4.1 3.5 1.0
ND1 A:HIS218 4.2 4.4 1.0
ND1 A:HIS228 4.2 6.0 1.0
CG A:HIS222 4.2 3.8 1.0
CG A:HIS228 4.3 6.7 1.0
ND1 A:HIS222 4.3 3.5 1.0
C7 A:Z790 4.3 10.7 1.0
O A:HOH57 4.7 21.6 1.0
C6 A:Z790 4.8 14.2 1.0
CE A:MET236 4.9 4.8 1.0
N1 A:Z790 4.9 11.6 1.0
CD A:GLU219 4.9 3.9 1.0
O A:HOH317 4.9 27.0 1.0
O A:HOH319 4.9 15.0 1.0
OE2 A:GLU219 5.0 5.9 1.0

Zinc binding site 2 out of 2 in 3lk8

Go back to Zinc Binding Sites List in 3lk8
Zinc binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate


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 Human MMP12 Complexed with the Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn265

b:9.0
occ:1.00
 OD1 A:ASP170 1.9 5.7 0.7
NE2 A:HIS183 1.9 10.2 1.0
ND1 A:HIS196 2.1 4.3 1.0
NE2 A:HIS168 2.1 6.7 1.0
CE1 A:HIS183 2.8 13.9 1.0
CG A:ASP170 2.9 11.8 0.7
CD2 A:HIS168 2.9 7.7 1.0
CE1 A:HIS196 3.0 4.0 1.0
CD2 A:HIS183 3.0 11.6 1.0
CG A:HIS196 3.1 5.2 1.0
OD2 A:ASP170 3.1 7.6 0.7
CE1 A:HIS168 3.2 9.2 1.0
CB A:HIS196 3.5 5.5 1.0
ND1 A:HIS183 4.0 13.9 1.0
CG A:HIS183 4.1 7.3 1.0
CG A:HIS168 4.1 9.2 1.0
NE2 A:HIS196 4.1 5.2 1.0
CD2 A:HIS196 4.2 4.4 1.0
ND1 A:HIS168 4.2 7.5 1.0
O A:HIS172 4.2 15.0 1.0
CB A:ASP170 4.3 13.6 0.7
CE2 A:PHE185 4.4 14.6 1.0
CB A:HIS172 4.5 16.8 1.0
CZ A:PHE185 4.5 13.5 1.0
CZ A:PHE174 4.6 5.5 1.0
CE1 A:PHE174 4.6 6.0 1.0
O A:HOH38 4.9 8.5 1.0
C A:HIS172 4.9 14.7 1.0
CA A:HIS196 5.0 5.2 1.0

Reference:

I.Bertini, V.Calderone, M.Fragai, A.Giachetti, M.Loconte, C.Luchinat, M.Maletta, C.Nativi, K.J.Yeo. Exploring the Subtleties of Drug-Receptor Interactions: the Case of Matrix Metalloproteinases J.Am.Chem.Soc. V. 129 2466 2007.
ISSN: ISSN 0002-7863
PubMed: 17269766
Page generated: Wed Dec 16 04:32:28 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy