Atomistry » Zinc » PDB 3fuj-3g7l » 3fx6
Atomistry »
  Zinc »
    PDB 3fuj-3g7l »
      3fx6 »

Zinc in PDB 3fx6: X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group

Enzymatic activity of X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group

All present enzymatic activity of X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group:
3.4.17.1;

Protein crystallography data

The structure of X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group, PDB code: 3fx6 was solved by S.F.Wang, J.Y.Jin, G.R.Tian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.37 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.356, 59.752, 99.514, 90.00, 104.04, 90.00
R / Rfree (%) 20.7 / 23.9

Zinc Binding Sites:

The binding sites of Zinc atom in the X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group (pdb code 3fx6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group, PDB code: 3fx6:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 3fx6

Go back to Zinc Binding Sites List in 3fx6
Zinc binding site 1 out of 3 in the X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn309

b:11.1
occ:1.00
ND1 A:HIS69 2.1 8.4 1.0
ND1 A:HIS196 2.1 8.0 1.0
OE1 A:GLU72 2.2 9.0 1.0
OAQ A:BPX311 2.2 45.8 1.0
OE2 A:GLU72 2.3 8.3 1.0
OAP A:BPX311 2.6 39.6 1.0
CD A:GLU72 2.6 10.3 1.0
CAG A:BPX311 2.9 44.9 1.0
CE1 A:HIS69 3.0 8.4 1.0
CG A:HIS196 3.0 8.2 1.0
CG A:HIS69 3.1 6.2 1.0
CE1 A:HIS196 3.1 10.5 1.0
CB A:HIS196 3.3 6.7 1.0
CB A:HIS69 3.4 8.4 1.0
CAH A:BPX311 3.8 41.6 1.0
O A:HOH316 3.9 8.9 1.0
CG A:GLU72 4.1 8.1 1.0
CA A:HIS196 4.1 7.5 1.0
NE2 A:HIS69 4.1 7.2 1.0
CAA A:BPX311 4.1 46.0 1.0
CAB A:BPX311 4.2 48.2 1.0
OE2 A:GLU270 4.2 11.2 1.0
CD2 A:HIS196 4.2 10.0 1.0
CD2 A:HIS69 4.2 5.3 1.0
NE2 A:HIS196 4.2 9.0 1.0
N A:SER197 4.4 9.5 1.0
OAS A:BPX311 4.5 39.0 1.0
NH2 A:ARG127 4.5 15.6 1.0
NAM A:BPX311 4.5 43.4 1.0
O A:HOH334 4.6 24.8 1.0
OE1 A:GLU270 4.7 13.3 1.0
CA A:HIS69 4.8 8.9 1.0
C A:HIS196 4.8 8.0 1.0
CD A:GLU270 4.9 12.9 1.0
CG2 A:ILE68 4.9 11.6 1.0
N A:HIS69 4.9 7.4 1.0
CB A:GLU72 4.9 8.0 1.0

Zinc binding site 2 out of 3 in 3fx6

Go back to Zinc Binding Sites List in 3fx6
Zinc binding site 2 out of 3 in the X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn309

b:14.8
occ:1.00
ND1 C:HIS69 2.2 10.5 1.0
ND1 C:HIS196 2.2 11.2 1.0
OE1 C:GLU72 2.2 12.2 1.0
OAQ C:BPX311 2.3 49.7 1.0
OE2 C:GLU72 2.4 11.3 1.0
OAP C:BPX311 2.6 45.8 1.0
CD C:GLU72 2.6 12.6 1.0
CAG C:BPX311 2.9 48.9 1.0
CG C:HIS196 3.0 10.9 1.0
CG C:HIS69 3.1 9.4 1.0
CE1 C:HIS69 3.2 12.6 1.0
CB C:HIS196 3.2 10.8 1.0
CE1 C:HIS196 3.3 12.5 1.0
CB C:HIS69 3.4 9.6 1.0
CAH C:BPX311 3.8 46.7 1.0
O C:HOH329 3.9 11.8 1.0
CA C:HIS196 4.1 9.5 1.0
CG C:GLU72 4.2 11.2 1.0
CAA C:BPX311 4.2 49.7 1.0
OE2 C:GLU270 4.2 16.8 1.0
CD2 C:HIS196 4.2 11.5 1.0
CAB C:BPX311 4.3 50.8 1.0
NE2 C:HIS69 4.3 11.6 1.0
CD2 C:HIS69 4.3 9.1 1.0
NE2 C:HIS196 4.3 12.8 1.0
N C:SER197 4.4 11.2 1.0
NH2 C:ARG127 4.5 17.9 1.0
NAM C:BPX311 4.5 47.7 1.0
OAS C:BPX311 4.6 44.9 1.0
O C:HOH363 4.6 27.3 1.0
OE1 C:GLU270 4.7 17.8 1.0
CA C:HIS69 4.8 10.2 1.0
C C:HIS196 4.8 11.5 1.0
CG2 C:ILE68 4.9 12.0 1.0
CD C:GLU270 4.9 15.5 1.0
N C:HIS69 4.9 9.7 1.0
CB C:GLU72 5.0 9.4 1.0

Zinc binding site 3 out of 3 in 3fx6

Go back to Zinc Binding Sites List in 3fx6
Zinc binding site 3 out of 3 in the X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of X-Ray Crystallographic Studies on the Complex of Carboxypeptidase A with the Inhibitor Using Alpha-Nitro Ketone As the Zinc-Binding Group within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn309

b:14.3
occ:1.00
ND1 E:HIS69 2.1 7.9 1.0
ND1 E:HIS196 2.1 10.8 1.0
OE1 E:GLU72 2.3 10.6 1.0
OAQ E:BPX311 2.3 48.9 1.0
OE2 E:GLU72 2.3 11.0 1.0
OAP E:BPX311 2.6 43.7 1.0
CD E:GLU72 2.6 12.3 1.0
CAG E:BPX311 3.0 47.0 1.0
CG E:HIS196 3.1 11.9 1.0
CG E:HIS69 3.1 6.4 1.0
CE1 E:HIS69 3.1 10.8 1.0
CE1 E:HIS196 3.2 14.9 1.0
CB E:HIS196 3.3 10.6 1.0
CB E:HIS69 3.4 7.5 1.0
CAH E:BPX311 3.8 43.0 1.0
O E:HOH312 3.9 9.7 1.0
CG E:GLU72 4.1 10.1 1.0
CA E:HIS196 4.2 11.1 1.0
CAA E:BPX311 4.2 48.1 1.0
CD2 E:HIS196 4.2 13.0 1.0
NE2 E:HIS69 4.2 8.7 1.0
CD2 E:HIS69 4.2 9.0 1.0
OE2 E:GLU270 4.2 14.7 1.0
CAB E:BPX311 4.3 50.6 1.0
NE2 E:HIS196 4.3 11.9 1.0
OAS E:BPX311 4.4 39.4 1.0
N E:SER197 4.5 12.0 1.0
NAM E:BPX311 4.5 43.7 1.0
O E:HOH322 4.6 26.9 1.0
NH2 E:ARG127 4.6 16.7 1.0
OE1 E:GLU270 4.7 14.8 1.0
CA E:HIS69 4.7 9.4 1.0
OAO E:BPX311 4.8 50.8 1.0
C E:HIS196 4.9 11.4 1.0
CD E:GLU270 4.9 16.3 1.0
N E:HIS69 4.9 8.5 1.0
CG2 E:ILE68 5.0 12.6 1.0
CB E:GLU72 5.0 9.4 1.0

Reference:

S.F.Wang, G.R.Tian, W.Z.Zhang, J.Y.Jin. Characterization of Alpha-Nitromethyl Ketone As A New Zinc-Binding Group Based on Structural Analysis of Its Complex with Carboxypeptidase A Bioorg.Med.Chem.Lett. V. 19 5009 2009.
ISSN: ISSN 0960-894X
PubMed: 19646864
DOI: 10.1016/J.BMCL.2009.07.060
Page generated: Thu Oct 24 13:27:48 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