Atomistry » Zinc » PDB 6i1u-6ijl » 6i6z
Atomistry »
  Zinc »
    PDB 6i1u-6ijl »
      6i6z »

Zinc in PDB 6i6z: Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Tyr-Ala-Y(PO2CH2)-Homophe-Oh

Enzymatic activity of Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Tyr-Ala-Y(PO2CH2)-Homophe-Oh

All present enzymatic activity of Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Tyr-Ala-Y(PO2CH2)-Homophe-Oh:
3.4.17.1;

Protein crystallography data

The structure of Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Tyr-Ala-Y(PO2CH2)-Homophe-Oh, PDB code: 6i6z was solved by P.Gallego, D.Reverter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.44 / 1.72
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.121, 84.109, 158.195, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 18.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Tyr-Ala-Y(PO2CH2)-Homophe-Oh (pdb code 6i6z). 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 Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Tyr-Ala-Y(PO2CH2)-Homophe-Oh, PDB code: 6i6z:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6i6z

Go back to Zinc Binding Sites List in 6i6z
Zinc binding site 1 out of 2 in the Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Tyr-Ala-Y(PO2CH2)-Homophe-Oh


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 Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Tyr-Ala-Y(PO2CH2)-Homophe-Oh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn502

b:8.6
occ:1.00
O4 A:TJE501 1.9 12.9 1.0
OE1 A:GLU182 2.0 7.7 1.0
ND1 A:HIS306 2.0 8.3 1.0
ND1 A:HIS179 2.1 7.5 1.0
CD A:GLU182 2.7 8.2 1.0
OE2 A:GLU182 2.8 9.2 1.0
CE1 A:HIS306 2.9 13.2 1.0
CE1 A:HIS179 3.0 7.7 1.0
P1 A:TJE501 3.0 13.0 1.0
O7 A:TJE501 3.1 15.6 1.0
CG A:HIS179 3.1 7.6 1.0
CG A:HIS306 3.1 7.8 1.0
CB A:HIS179 3.5 6.2 1.0
CB A:HIS306 3.5 5.2 1.0
O A:HOH653 3.9 11.2 1.0
NE2 A:HIS306 4.1 13.5 1.0
C12 A:TJE501 4.1 11.7 1.0
NE2 A:HIS179 4.1 7.2 1.0
CD2 A:HIS306 4.2 12.9 1.0
CG A:GLU182 4.2 5.6 1.0
CD2 A:HIS179 4.2 7.2 1.0
O A:SER307 4.2 8.3 1.0
O A:HOH657 4.3 11.9 1.0
OE1 A:GLU380 4.4 14.6 1.0
C14 A:TJE501 4.4 9.2 1.0
NH2 A:ARG237 4.5 9.4 1.0
CA A:HIS306 4.5 4.5 1.0
C15 A:TJE501 4.6 11.0 1.0
CA A:HIS179 4.8 6.2 1.0
O6 A:TJE501 4.8 12.9 1.0
N A:SER307 4.8 4.7 1.0
OE2 A:GLU380 4.9 9.9 1.0
C13 A:TJE501 4.9 14.1 1.0
N A:HIS179 4.9 9.1 1.0
C24 A:TJE501 5.0 11.1 1.0

Zinc binding site 2 out of 2 in 6i6z

Go back to Zinc Binding Sites List in 6i6z
Zinc binding site 2 out of 2 in the Crystal Structure of the Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Tyr-Ala-Y(PO2CH2)-Homophe-Oh


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 Human Carboxypeptidase A1 in Complex with the Phosphinic Inhibitor Acetyl-Tyr-Ala-Y(PO2CH2)-Homophe-Oh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn502

b:8.7
occ:1.00
O4 B:TJE501 2.0 12.7 1.0
ND1 B:HIS306 2.0 8.4 1.0
OE1 B:GLU182 2.0 8.4 1.0
ND1 B:HIS179 2.1 8.7 1.0
CD B:GLU182 2.7 8.6 1.0
OE2 B:GLU182 2.7 9.6 1.0
CE1 B:HIS306 2.9 12.9 1.0
P1 B:TJE501 3.0 11.6 1.0
CE1 B:HIS179 3.1 9.0 1.0
CG B:HIS306 3.1 8.7 1.0
CG B:HIS179 3.1 8.4 1.0
O7 B:TJE501 3.1 12.7 1.0
CB B:HIS179 3.4 7.9 1.0
CB B:HIS306 3.5 7.9 1.0
O B:HOH633 4.0 9.9 1.0
NE2 B:HIS306 4.1 14.6 1.0
C12 B:TJE501 4.1 13.2 1.0
CD2 B:HIS306 4.2 11.7 1.0
NE2 B:HIS179 4.2 6.7 1.0
CG B:GLU182 4.2 4.7 1.0
O B:HOH625 4.2 14.1 1.0
O B:SER307 4.2 8.2 1.0
CD2 B:HIS179 4.2 6.5 1.0
OE1 B:GLU380 4.3 12.1 1.0
C14 B:TJE501 4.4 11.9 1.0
CA B:HIS306 4.5 7.0 1.0
NH2 B:ARG237 4.6 9.0 1.0
C15 B:TJE501 4.7 14.4 1.0
N B:SER307 4.7 6.1 1.0
CA B:HIS179 4.8 5.6 1.0
OE2 B:GLU380 4.8 12.3 1.0
O6 B:TJE501 4.9 15.7 1.0
C13 B:TJE501 4.9 14.0 1.0
N B:HIS179 4.9 6.9 1.0

Reference:

G.Covaleda, P.Gallego, J.Vendrell, D.Georgiadis, J.Lorenzo, V.Dive, F.X.Aviles, D.Reverter, L.Devel. Synthesis and Structural/Functional Characterization of Selective M14 Metallocarboxypeptidase Inhibitors Based on Phosphinic Pseudopeptide Scaffold: Implications on the Design of Specific Optical Probes. J. Med. Chem. V. 62 1917 2019.
ISSN: ISSN 1520-4804
PubMed: 30688452
DOI: 10.1021/ACS.JMEDCHEM.8B01465
Page generated: Wed Dec 16 11:59:45 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy