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Zinc in PDB 2pj9: Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Benzo[1,2,5]Thiadiazole-4-Sulfonylamino)-2-Methyl-Propyl]- Hydroxy-Phosphinoyl}-Propionic Acid Complex

Enzymatic activity of Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Benzo[1,2,5]Thiadiazole-4-Sulfonylamino)-2-Methyl-Propyl]- Hydroxy-Phosphinoyl}-Propionic Acid Complex

All present enzymatic activity of Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Benzo[1,2,5]Thiadiazole-4-Sulfonylamino)-2-Methyl-Propyl]- Hydroxy-Phosphinoyl}-Propionic Acid Complex:
3.4.17.2;

Protein crystallography data

The structure of Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Benzo[1,2,5]Thiadiazole-4-Sulfonylamino)-2-Methyl-Propyl]- Hydroxy-Phosphinoyl}-Propionic Acid Complex, PDB code: 2pj9 was solved by M.Adler, M.Whitlow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.11 / 1.56
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.407, 78.631, 49.647, 90.00, 90.00, 90.00
R / Rfree (%) 23.8 / 25.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Benzo[1,2,5]Thiadiazole-4-Sulfonylamino)-2-Methyl-Propyl]- Hydroxy-Phosphinoyl}-Propionic Acid Complex (pdb code 2pj9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Benzo[1,2,5]Thiadiazole-4-Sulfonylamino)-2-Methyl-Propyl]- Hydroxy-Phosphinoyl}-Propionic Acid Complex, PDB code: 2pj9:

Zinc binding site 1 out of 1 in 2pj9

Go back to Zinc Binding Sites List in 2pj9
Zinc binding site 1 out of 1 in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Benzo[1,2,5]Thiadiazole-4-Sulfonylamino)-2-Methyl-Propyl]- Hydroxy-Phosphinoyl}-Propionic Acid Complex


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 Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Benzo[1,2,5]Thiadiazole-4-Sulfonylamino)-2-Methyl-Propyl]- Hydroxy-Phosphinoyl}-Propionic Acid Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn400

b:16.1
occ:1.00
 OE2 A:GLU72 2.0 14.0 1.0
ND1 A:HIS69 2.1 14.2 1.0
ND1 A:HIS196 2.1 15.0 1.0
O25 A:281401 2.3 18.9 1.0
O26 A:281401 2.6 19.6 1.0
CD A:GLU72 2.7 13.8 1.0
OE1 A:GLU72 2.7 15.5 1.0
P24 A:281401 2.9 16.5 1.0
CE1 A:HIS69 2.9 15.3 1.0
CE1 A:HIS196 3.0 13.9 1.0
CG A:HIS69 3.2 14.8 1.0
CG A:HIS196 3.2 15.6 1.0
CB A:HIS69 3.6 14.9 1.0
CB A:HIS196 3.6 15.6 1.0
O A:HOH433 4.0 14.9 1.0
O A:SER197 4.1 14.9 1.0
CG A:GLU72 4.1 13.5 1.0
NE2 A:HIS69 4.2 14.9 1.0
NE2 A:HIS196 4.2 14.3 1.0
C15 A:281401 4.2 17.2 1.0
C27 A:281401 4.3 18.8 1.0
C1 A:281401 4.3 17.7 1.0
CD2 A:HIS69 4.3 15.2 1.0
NH1 A:ARG127 4.3 16.1 1.0
CD2 A:HIS196 4.3 14.5 1.0
O A:HOH491 4.3 14.7 1.0
C2 A:281401 4.5 19.9 1.0
CA A:HIS196 4.6 13.8 1.0
O14 A:281401 4.6 17.1 1.0
N A:SER197 4.7 13.8 1.0
OE2 A:GLU270 4.8 24.5 1.0
OE1 A:GLU270 4.8 21.3 1.0
CA A:HIS69 5.0 14.5 1.0

Reference:

M.Adler, B.Buckman, J.Bryant, Z.Chang, K.Chu, K.Emayan, P.Hrvatin, I.Islam, J.Morser, D.Sukovich, C.West, S.Yuan, M.Whitlow. Structures of Potent Selective Peptide Mimetics Bound to Carboxypeptidase B. Acta Crystallogr.,Sect.D V. 64 149 2008.
ISSN: ISSN 0907-4449
PubMed: 18219114
DOI: 10.1107/S0907444907057228
Page generated: Thu Oct 17 03:04:11 2024

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