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Zinc in PDB 3fvl: Crystallogic Studies on the Complex of Carboxypeptidase A with Inhibitors Using Alpha-Hydroxy Ketone As Zinc-Binding Group

Enzymatic activity of Crystallogic Studies on the Complex of Carboxypeptidase A with Inhibitors Using Alpha-Hydroxy Ketone As Zinc-Binding Group

All present enzymatic activity of Crystallogic Studies on the Complex of Carboxypeptidase A with Inhibitors Using Alpha-Hydroxy Ketone As Zinc-Binding Group:
3.4.17.1;

Protein crystallography data

The structure of Crystallogic Studies on the Complex of Carboxypeptidase A with Inhibitors Using Alpha-Hydroxy Ketone As Zinc-Binding Group, PDB code: 3fvl 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) 50.00 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.347, 59.786, 99.360, 90.00, 103.94, 90.00
R / Rfree (%) 20.9 / 23.8

Zinc Binding Sites:

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

Zinc binding site 1 out of 3 in 3fvl

Go back to Zinc Binding Sites List in 3fvl
Zinc binding site 1 out of 3 in the Crystallogic Studies on the Complex of Carboxypeptidase A with Inhibitors Using Alpha-Hydroxy Ketone As 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 Crystallogic Studies on the Complex of Carboxypeptidase A with Inhibitors Using Alpha-Hydroxy Ketone As Zinc-Binding Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1309

b:12.0
occ:1.00
ND1 A:HIS69 2.1 8.2 1.0
ND1 A:HIS196 2.1 7.4 1.0
OE1 A:GLU72 2.2 9.7 1.0
OAO A:BHK311 2.3 30.6 1.0
OE2 A:GLU72 2.3 8.4 1.0
CD A:GLU72 2.6 10.6 1.0
CE1 A:HIS69 3.0 8.7 1.0
CG A:HIS196 3.0 7.2 1.0
CG A:HIS69 3.1 5.8 1.0
CE1 A:HIS196 3.1 10.2 1.0
CB A:HIS196 3.3 6.5 1.0
CAE A:BHK311 3.4 36.6 1.0
CB A:HIS69 3.4 8.7 1.0
OAP A:BHK311 4.0 28.0 1.0
O A:HOH310 4.0 9.1 1.0
CAF A:BHK311 4.1 34.8 1.0
CG A:GLU72 4.1 8.4 1.0
CA A:HIS196 4.1 8.2 1.0
NE2 A:HIS69 4.1 6.8 1.0
OE2 A:GLU270 4.2 10.7 1.0
CD2 A:HIS196 4.2 9.9 1.0
CD2 A:HIS69 4.2 5.6 1.0
NE2 A:HIS196 4.2 8.7 1.0
N A:SER197 4.4 9.1 1.0
O A:HOH335 4.5 11.8 1.0
NH2 A:ARG127 4.5 14.2 1.0
CAA A:BHK311 4.5 38.9 1.0
OAN A:BHK311 4.6 45.8 1.0
OE1 A:GLU270 4.7 13.5 1.0
CAB A:BHK311 4.7 42.0 1.0
CA A:HIS69 4.8 8.9 1.0
C A:HIS196 4.8 7.7 1.0
CD A:GLU270 4.9 12.9 1.0
CG2 A:ILE68 4.9 12.2 1.0
N A:HIS69 4.9 7.7 1.0
CB A:GLU72 4.9 7.8 1.0

Zinc binding site 2 out of 3 in 3fvl

Go back to Zinc Binding Sites List in 3fvl
Zinc binding site 2 out of 3 in the Crystallogic Studies on the Complex of Carboxypeptidase A with Inhibitors Using Alpha-Hydroxy Ketone As 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 Crystallogic Studies on the Complex of Carboxypeptidase A with Inhibitors Using Alpha-Hydroxy Ketone As Zinc-Binding Group within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn1309

b:15.1
occ:1.00
ND1 C:HIS69 2.2 11.1 1.0
ND1 C:HIS196 2.2 10.7 1.0
OE1 C:GLU72 2.2 12.8 1.0
OAO C:BHK311 2.2 28.5 1.0
OE2 C:GLU72 2.4 11.3 1.0
CD C:GLU72 2.6 12.3 1.0
CG C:HIS196 3.0 10.1 1.0
CG C:HIS69 3.1 10.7 1.0
CE1 C:HIS69 3.1 13.2 1.0
CB C:HIS196 3.2 10.6 1.0
CE1 C:HIS196 3.2 13.0 1.0
CAE C:BHK311 3.4 35.3 1.0
CB C:HIS69 3.4 9.7 1.0
O C:HOH338 3.9 11.7 1.0
CA C:HIS196 4.1 9.4 1.0
OAP C:BHK311 4.1 29.6 1.0
CG C:GLU72 4.1 10.8 1.0
CAF C:BHK311 4.2 33.2 1.0
OE2 C:GLU270 4.2 17.3 1.0
CD2 C:HIS196 4.2 11.3 1.0
NE2 C:HIS69 4.3 11.9 1.0
CD2 C:HIS69 4.3 10.0 1.0
NE2 C:HIS196 4.3 12.6 1.0
OAN C:BHK311 4.4 43.6 1.0
N C:SER197 4.4 11.5 1.0
NH2 C:ARG127 4.5 17.1 1.0
O C:HOH322 4.5 15.2 1.0
CAA C:BHK311 4.5 38.4 1.0
CAB C:BHK311 4.6 41.1 1.0
OE1 C:GLU270 4.7 17.4 1.0
CA C:HIS69 4.8 10.4 1.0
C C:HIS196 4.8 11.2 1.0
CG2 C:ILE68 4.9 12.2 1.0
CD C:GLU270 4.9 15.4 1.0
CAC C:BHK311 4.9 42.2 1.0
N C:HIS69 4.9 9.7 1.0
CB C:GLU72 5.0 9.3 1.0

Zinc binding site 3 out of 3 in 3fvl

Go back to Zinc Binding Sites List in 3fvl
Zinc binding site 3 out of 3 in the Crystallogic Studies on the Complex of Carboxypeptidase A with Inhibitors Using Alpha-Hydroxy Ketone As 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 Crystallogic Studies on the Complex of Carboxypeptidase A with Inhibitors Using Alpha-Hydroxy Ketone As Zinc-Binding Group within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn1309

b:13.9
occ:1.00
ND1 E:HIS69 2.1 8.4 1.0
ND1 E:HIS196 2.2 11.2 1.0
OE1 E:GLU72 2.3 11.1 1.0
OAO E:BHK311 2.3 44.0 1.0
OE2 E:GLU72 2.3 10.8 1.0
CD E:GLU72 2.6 11.8 1.0
CG E:HIS196 3.1 12.0 1.0
CG E:HIS69 3.1 7.0 1.0
CE1 E:HIS69 3.1 11.4 1.0
CE1 E:HIS196 3.2 15.7 1.0
CB E:HIS196 3.3 10.8 1.0
CB E:HIS69 3.4 7.7 1.0
CAE E:BHK311 3.4 47.6 1.0
OAP E:BHK311 3.9 39.8 1.0
O E:HOH312 4.0 9.9 1.0
CAF E:BHK311 4.0 45.8 1.0
CG E:GLU72 4.1 10.1 1.0
CA E:HIS196 4.2 10.8 1.0
CD2 E:HIS196 4.2 13.5 1.0
CD2 E:HIS69 4.2 9.3 1.0
NE2 E:HIS69 4.2 9.2 1.0
OE2 E:GLU270 4.3 15.9 1.0
NE2 E:HIS196 4.3 12.5 1.0
O E:HOH320 4.3 12.1 1.0
N E:SER197 4.5 11.7 1.0
OAN E:BHK311 4.5 56.7 1.0
CAA E:BHK311 4.6 51.0 1.0
NH2 E:ARG127 4.6 16.5 1.0
OE1 E:GLU270 4.7 15.3 1.0
CA E:HIS69 4.7 9.1 1.0
CAB E:BHK311 4.8 54.4 1.0
C E:HIS196 4.9 11.3 1.0
CD E:GLU270 4.9 16.8 1.0
N E:HIS69 4.9 9.0 1.0
CB E:GLU72 5.0 9.6 1.0

Reference:

S.F.Wang, J.-Y.Jin, Z.H.Zeng, G.R.Tian. Optical 2-Benzyl-5-HYDROXY4OXOPENTANOIC Acids Against Carboxypeptidase A: Synthesis, Kinetic Evaluation and X-Ray Crystallographic Study Chin.Chem.Lett. V. 21 159 2010.
ISSN: ISSN 1001-8417
DOI: 10.1016/J.CCLET.2009.09.005
Page generated: Wed Dec 16 04:19:30 2020

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