Atomistry » Zinc » PDB 2pdo-2pou » 2pj8
Atomistry »
  Zinc »
    PDB 2pdo-2pou »
      2pj8 »

Zinc in PDB 2pj8: Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Biphenyl-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- (Biphenyl-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- (Biphenyl-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- (Biphenyl-4-Sulfonylamino)-2-Methyl-Propyl]-Hydroxy- Phosphinoyl}-Propionic Acid Complex, PDB code: 2pj8 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) 24.32 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.588, 95.472, 135.819, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 22.1

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- (Biphenyl-4-Sulfonylamino)-2-Methyl-Propyl]-Hydroxy- Phosphinoyl}-Propionic Acid Complex (pdb code 2pj8). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Biphenyl-4-Sulfonylamino)-2-Methyl-Propyl]-Hydroxy- Phosphinoyl}-Propionic Acid Complex, PDB code: 2pj8:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 2pj8

Go back to Zinc Binding Sites List in 2pj8
Zinc binding site 1 out of 3 in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Biphenyl-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- (Biphenyl-4-Sulfonylamino)-2-Methyl-Propyl]-Hydroxy- Phosphinoyl}-Propionic Acid Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn400

b:12.9
occ:1.00
 ND1 A:HIS69 2.1 11.2 1.0
ND1 A:HIS196 2.1 12.0 1.0
OE1 A:GLU72 2.2 10.0 1.0
O25 A:17A401 2.2 16.1 1.0
OE2 A:GLU72 2.5 11.4 1.0
CD A:GLU72 2.7 10.4 1.0
O26 A:17A401 2.8 18.4 1.0
P24 A:17A401 2.9 16.1 1.0
CE1 A:HIS69 3.0 11.8 1.0
CE1 A:HIS196 3.1 9.9 1.0
CG A:HIS196 3.2 9.8 1.0
CG A:HIS69 3.2 10.7 1.0
CB A:HIS196 3.5 9.6 1.0
CB A:HIS69 3.6 10.8 1.0
CG A:GLU72 4.2 9.1 1.0
O A:SER197 4.2 9.0 1.0
O A:HOH411 4.2 11.7 1.0
NE2 A:HIS69 4.2 10.4 1.0
O A:HOH427 4.2 13.4 1.0
C27 A:17A401 4.2 16.3 1.0
NE2 A:HIS196 4.2 9.7 1.0
C15 A:17A401 4.3 14.3 1.0
CD2 A:HIS69 4.3 13.2 1.0
CD2 A:HIS196 4.3 11.6 1.0
C1 A:17A401 4.3 16.6 1.0
NH1 A:ARG127 4.5 12.9 1.0
OE2 A:GLU270 4.5 16.8 1.0
CA A:HIS196 4.5 10.3 1.0
C2 A:17A401 4.6 17.0 1.0
O14 A:17A401 4.7 17.4 1.0
N A:SER197 4.7 10.3 1.0
CA A:HIS69 4.9 10.2 1.0

Zinc binding site 2 out of 3 in 2pj8

Go back to Zinc Binding Sites List in 2pj8
Zinc binding site 2 out of 3 in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Biphenyl-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 2 of Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Biphenyl-4-Sulfonylamino)-2-Methyl-Propyl]-Hydroxy- Phosphinoyl}-Propionic Acid Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn500

b:11.8
occ:1.00
 ND1 B:HIS69 2.0 8.5 1.0
ND1 B:HIS196 2.1 10.5 1.0
OE1 B:GLU72 2.2 9.9 1.0
O25 B:17A501 2.2 15.1 1.0
OE2 B:GLU72 2.4 10.8 1.0
CD B:GLU72 2.6 11.2 1.0
O26 B:17A501 2.7 16.2 1.0
P24 B:17A501 2.9 13.0 1.0
CE1 B:HIS69 3.0 10.3 1.0
CE1 B:HIS196 3.1 11.2 1.0
CG B:HIS69 3.1 8.3 1.0
CG B:HIS196 3.2 9.4 1.0
CB B:HIS196 3.5 9.4 1.0
CB B:HIS69 3.6 10.3 1.0
O B:HOH531 4.1 19.5 1.0
CG B:GLU72 4.1 10.8 1.0
O B:SER197 4.1 9.9 1.0
C27 B:17A501 4.1 12.9 1.0
NE2 B:HIS69 4.2 9.8 1.0
O B:HOH503 4.2 13.3 1.0
CD2 B:HIS69 4.2 9.3 1.0
C15 B:17A501 4.3 12.0 1.0
NE2 B:HIS196 4.3 10.1 1.0
CD2 B:HIS196 4.3 10.0 1.0
NH1 B:ARG127 4.4 13.6 1.0
C1 B:17A501 4.4 12.2 1.0
CA B:HIS196 4.5 9.3 1.0
C2 B:17A501 4.7 12.3 1.0
OE2 B:GLU270 4.7 20.0 1.0
N B:SER197 4.7 8.5 1.0
O14 B:17A501 4.7 13.1 1.0
CA B:HIS69 4.9 8.7 1.0

Zinc binding site 3 out of 3 in 2pj8

Go back to Zinc Binding Sites List in 2pj8
Zinc binding site 3 out of 3 in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Biphenyl-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 3 of Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[(R)-1- (Biphenyl-4-Sulfonylamino)-2-Methyl-Propyl]-Hydroxy- Phosphinoyl}-Propionic Acid Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn600

b:11.4
occ:1.00
 ND1 C:HIS196 2.1 10.0 1.0
ND1 C:HIS69 2.1 11.1 1.0
OE1 C:GLU72 2.2 8.5 1.0
O25 C:17A601 2.4 14.2 1.0
OE2 C:GLU72 2.5 8.4 1.0
CD C:GLU72 2.6 8.4 1.0
O26 C:17A601 2.7 16.7 1.0
P24 C:17A601 3.0 12.4 1.0
CE1 C:HIS69 3.0 10.4 1.0
CE1 C:HIS196 3.0 11.1 1.0
CG C:HIS196 3.1 8.4 1.0
CG C:HIS69 3.2 9.6 1.0
CB C:HIS196 3.5 7.6 1.0
CB C:HIS69 3.6 7.4 1.0
CG C:GLU72 4.2 5.2 1.0
NE2 C:HIS69 4.2 10.8 1.0
O C:SER197 4.2 8.3 1.0
NE2 C:HIS196 4.2 9.5 1.0
C27 C:17A601 4.2 11.4 1.0
O C:HOH607 4.2 11.0 1.0
O C:HOH611 4.2 12.8 1.0
CD2 C:HIS196 4.3 10.8 1.0
CD2 C:HIS69 4.3 9.7 1.0
C15 C:17A601 4.3 11.9 1.0
NH1 C:ARG127 4.3 10.2 1.0
C1 C:17A601 4.4 11.6 1.0
CA C:HIS196 4.5 7.9 1.0
C2 C:17A601 4.6 11.5 1.0
O14 C:17A601 4.6 12.4 1.0
N C:SER197 4.7 9.5 1.0
CA C:HIS69 4.9 8.4 1.0
N C:HIS69 5.0 8.4 1.0
OE2 C:GLU270 5.0 21.7 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: Wed Aug 20 05:07:57 2025

Last articles

Zn in 3H3K
Zn in 3H2Q
Zn in 3H3E
Zn in 3H2P
Zn in 3H2W
Zn in 3H1Y
Zn in 3H1W
Zn in 3H1K
Zn in 3H0G
Zn in 3H1M
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy