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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

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