Atomistry » Zinc » PDB 1jao-1joe » 1jaq
Atomistry »
  Zinc »
    PDB 1jao-1joe »
      1jaq »

Zinc in PDB 1jaq: Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form)

Enzymatic activity of Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form)

All present enzymatic activity of Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form):
3.4.24.34;

Protein crystallography data

The structure of Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form), PDB code: 1jaq was solved by F.Grams, P.Reinemer, J.C.Powers, T.Kleine, M.Piper, H.Tschesche, R.Huber, W.Bode, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 33.130, 69.370, 72.310, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / n/a

Other elements in 1jaq:

The structure of Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form) also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form) (pdb code 1jaq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form), PDB code: 1jaq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1jaq

Go back to Zinc Binding Sites List in 1jaq
Zinc binding site 1 out of 2 in the Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn998

b:10.6
occ:1.00
 OD2 A:ASP149 1.8 7.9 1.0
NE2 A:HIS147 2.0 10.1 1.0
NE2 A:HIS162 2.2 9.3 1.0
ND1 A:HIS175 2.3 11.8 1.0
CD2 A:HIS147 2.7 9.8 1.0
CG A:ASP149 2.8 10.6 1.0
CE1 A:HIS162 3.0 8.9 1.0
CE1 A:HIS147 3.1 9.4 1.0
CG A:HIS175 3.2 11.4 1.0
OD1 A:ASP149 3.2 11.2 1.0
CE1 A:HIS175 3.3 10.1 1.0
CD2 A:HIS162 3.4 10.0 1.0
CB A:HIS175 3.4 10.9 1.0
CZ A:PHE164 3.9 7.9 1.0
CG A:HIS147 4.0 8.0 1.0
ND1 A:HIS147 4.1 8.9 1.0
CB A:ASP149 4.1 13.1 1.0
ND1 A:HIS162 4.2 12.3 1.0
O A:SER151 4.3 12.9 1.0
CE1 A:PHE164 4.3 6.3 1.0
CD2 A:HIS175 4.4 13.3 1.0
CG A:HIS162 4.4 7.5 1.0
NE2 A:HIS175 4.4 11.6 1.0
H2 A:HOH1024 4.6 15.0 1.0
CZ A:PHE153 4.7 18.4 1.0
CB A:SER151 4.7 17.7 1.0
O A:HOH1024 4.8 17.3 1.0
CE2 A:PHE153 4.8 18.5 1.0
CA A:HIS175 4.9 9.9 1.0
H A:HIS175 5.0 15.0 1.0

Zinc binding site 2 out of 2 in 1jaq

Go back to Zinc Binding Sites List in 1jaq
Zinc binding site 2 out of 2 in the Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Complex of 1-Hydroxylamine-2-Isobutylmalonyl-Ala-Gly-NH2 with the Catalytic Domain of Matrix Metallo Proteinase-8 (MET80 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn999

b:10.0
occ:1.00
 NE2 A:HIS197 1.9 3.6 1.0
NE2 A:HIS207 2.1 9.4 1.0
OH A:01S1 2.1 14.6 1.0
NE2 A:HIS201 2.3 7.6 1.0
O1 A:01S1 2.4 14.5 1.0
HOH A:01S1 2.7 15.0 1.0
CE1 A:HIS207 2.8 9.5 1.0
CE1 A:HIS197 2.9 4.3 1.0
CD2 A:HIS197 2.9 6.5 1.0
N A:01S1 3.0 13.6 1.0
C1 A:01S1 3.1 13.8 1.0
CD2 A:HIS201 3.1 7.1 1.0
CD2 A:HIS207 3.1 9.3 1.0
CE1 A:HIS201 3.4 6.6 1.0
H2 A:HOH1076 3.7 15.0 1.0
H1 A:HOH1076 3.8 15.0 1.0
HN A:01S1 4.0 15.0 1.0
ND1 A:HIS197 4.0 3.7 1.0
H1 A:01S1 4.0 15.0 1.0
ND1 A:HIS207 4.0 10.7 1.0
CG A:HIS197 4.0 2.8 1.0
CG A:HIS207 4.2 10.3 1.0
OE2 A:GLU198 4.2 6.6 1.0
HN2 A:01S1 4.3 15.0 1.0
O A:HOH1076 4.3 2.0 1.0
CG A:HIS201 4.3 6.8 1.0
ND1 A:HIS201 4.4 6.8 1.0
H A:01S1 4.5 15.0 1.0
CA A:01S1 4.6 12.1 1.0
OE1 A:GLU198 4.8 4.0 1.0
HD1 A:HIS207 4.8 15.0 1.0
N2 A:01S1 4.8 14.3 1.0
HD1 A:HIS197 4.9 15.0 1.0
CD A:GLU198 4.9 4.7 1.0

Reference:

F.Grams, P.Reinemer, J.C.Powers, T.Kleine, M.Pieper, H.Tschesche, R.Huber, W.Bode. X-Ray Structures of Human Neutrophil Collagenase Complexed with Peptide Hydroxamate and Peptide Thiol Inhibitors. Implications For Substrate Binding and Rational Drug Design. Eur.J.Biochem. V. 228 830 1995.
ISSN: ISSN 0014-2956
PubMed: 7737183
DOI: 10.1111/J.1432-1033.1995.TB20329.X
Page generated: Sun Oct 13 03:28:24 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy