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Zinc in PDB 3ehy: Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid

Enzymatic activity of Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid:
3.4.24.65;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid, PDB code: 3ehy was solved by V.Calderone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.23 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 51.256, 60.479, 54.598, 90.00, 116.17, 90.00
R / Rfree (%) 15.5 / 20.4

Other elements in 3ehy:

The structure of Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid 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 (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid (pdb code 3ehy). 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 (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid, PDB code: 3ehy:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3ehy

Go back to Zinc Binding Sites List in 3ehy
Zinc binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid


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 (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn264

b:5.3
occ:1.00
 O1 A:TBL1 1.9 2.0 1.0
NE2 A:HIS218 2.0 2.9 1.0
NE2 A:HIS228 2.0 2.0 1.0
NE2 A:HIS222 2.1 2.0 1.0
C1 A:TBL1 2.7 5.8 1.0
O2 A:TBL1 2.7 3.5 1.0
CE1 A:HIS218 3.0 2.0 1.0
CD2 A:HIS222 3.0 2.0 1.0
CD2 A:HIS218 3.0 2.0 1.0
CE1 A:HIS228 3.0 2.0 1.0
CD2 A:HIS228 3.0 2.9 1.0
CE1 A:HIS222 3.1 2.0 1.0
ND1 A:HIS218 4.1 2.0 1.0
ND1 A:HIS228 4.1 2.9 1.0
CG A:HIS218 4.1 2.0 1.0
CG A:HIS228 4.1 2.0 1.0
C2 A:TBL1 4.1 5.4 1.0
CG A:HIS222 4.2 2.0 1.0
ND1 A:HIS222 4.2 2.0 1.0
O A:HOH273 4.5 2.0 1.0
O A:HOH359 4.6 13.9 1.0
N1 A:TBL1 4.6 6.3 1.0
C4 A:TBL1 4.8 8.0 1.0
OE1 A:GLU219 4.8 2.0 1.0
C10 A:TBL1 4.8 3.5 1.0
CE A:MET236 4.9 2.0 1.0
C5 A:TBL1 5.0 12.3 1.0
C3 A:TBL1 5.0 8.0 1.0

Zinc binding site 2 out of 2 in 3ehy

Go back to Zinc Binding Sites List in 3ehy
Zinc binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of Human MMP12 Complexed with the Inhibitor (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid


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 (R)-2-(4- Methoxyphenylsulfonamido)Propanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn265

b:5.7
occ:1.00
 OD1 A:ASP170 2.0 2.0 0.7
NE2 A:HIS183 2.0 5.7 1.0
NE2 A:HIS168 2.1 3.2 1.0
ND1 A:HIS196 2.1 2.0 1.0
CE1 A:HIS183 2.8 5.2 1.0
CD2 A:HIS168 2.8 5.6 1.0
CG A:ASP170 2.9 5.0 0.7
CE1 A:HIS196 3.0 2.1 1.0
CD2 A:HIS183 3.1 3.9 1.0
OD2 A:ASP170 3.1 2.0 0.7
CG A:HIS196 3.1 2.1 1.0
CE1 A:HIS168 3.2 6.2 1.0
CB A:HIS196 3.5 2.0 1.0
ND1 A:HIS183 4.0 7.6 1.0
CG A:HIS168 4.1 5.9 1.0
CG A:HIS183 4.1 2.8 1.0
NE2 A:HIS196 4.2 2.0 1.0
ND1 A:HIS168 4.2 6.1 1.0
O A:HIS172 4.2 7.2 1.0
CD2 A:HIS196 4.2 2.0 1.0
CB A:ASP170 4.3 7.1 0.7
CB A:HIS172 4.4 7.8 1.0
CE2 A:PHE185 4.7 11.4 1.0
CZ A:PHE174 4.7 3.7 1.0
CE1 A:PHE174 4.8 2.0 1.0
O A:HOH311 4.9 3.5 1.0
C A:HIS172 4.9 6.0 1.0
CZ A:PHE185 4.9 10.2 1.0
CA A:HIS196 5.0 2.0 1.0

Reference:

E.Dragoni, V.Calderone, M.Fragai, R.Jaiswal, C.Luchinat, C.Nativi. Biotin-Tagged Probes For Mmp Expression and Activation: Design, Synthesis, and Binding Properties Bioconjug.Chem. V. 20 719 2009.
ISSN: ISSN 1043-1802
PubMed: 19275207
DOI: 10.1021/BC8003827
Page generated: Thu Oct 24 12:49:19 2024

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