Atomistry » Zinc » PDB 2pcx-2pot » 2pjb
Atomistry »
  Zinc »
    PDB 2pcx-2pot »
      2pjb »

Zinc in PDB 2pjb: Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[1-((S)-2- Benzyloxycarbonylamino-3-Phenyl-Propane-1-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-{[1-((S)-2- Benzyloxycarbonylamino-3-Phenyl-Propane-1-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-{[1-((S)-2- Benzyloxycarbonylamino-3-Phenyl-Propane-1-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-{[1-((S)-2- Benzyloxycarbonylamino-3-Phenyl-Propane-1-Sulfonylamino)-2- Methyl-Propyl]-Hydroxy-Phosphinoyl}-Propionic Acid Complex, PDB code: 2pjb 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) 22.66 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.392, 96.152, 135.528, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 20.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[1-((S)-2- Benzyloxycarbonylamino-3-Phenyl-Propane-1-Sulfonylamino)-2- Methyl-Propyl]-Hydroxy-Phosphinoyl}-Propionic Acid Complex (pdb code 2pjb). 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-{[1-((S)-2- Benzyloxycarbonylamino-3-Phenyl-Propane-1-Sulfonylamino)-2- Methyl-Propyl]-Hydroxy-Phosphinoyl}-Propionic Acid Complex, PDB code: 2pjb:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 2pjb

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

b:12.5
occ:1.00
 OE1 A:GLU72 2.1 9.3 1.0
ND1 A:HIS69 2.1 10.1 1.0
ND1 A:HIS196 2.1 11.5 1.0
O25 A:983401 2.1 12.0 1.0
OE2 A:GLU72 2.6 10.5 1.0
CD A:GLU72 2.6 9.5 1.0
O26 A:983401 2.8 13.3 1.0
P24 A:983401 2.8 11.9 1.0
CE1 A:HIS69 3.0 9.3 1.0
CE1 A:HIS196 3.1 10.6 1.0
CG A:HIS196 3.2 9.9 1.0
CG A:HIS69 3.2 9.6 1.0
CB A:HIS196 3.5 8.9 1.0
CB A:HIS69 3.6 7.5 1.0
O A:HOH437 4.1 10.8 1.0
C27 A:983401 4.1 11.8 1.0
CG A:GLU72 4.1 10.1 1.0
O A:SER197 4.1 9.1 1.0
NE2 A:HIS69 4.2 9.1 1.0
NE2 A:HIS196 4.3 11.0 1.0
C15 A:983401 4.3 11.3 1.0
CD2 A:HIS69 4.3 8.4 1.0
O A:HOH416 4.3 9.8 1.0
CD2 A:HIS196 4.3 8.2 1.0
C1 A:983401 4.4 11.0 1.0
NH1 A:ARG127 4.4 7.3 1.0
OE2 A:GLU270 4.4 12.7 1.0
CA A:HIS196 4.5 9.5 1.0
C2 A:983401 4.7 10.0 1.0
O14 A:983401 4.7 13.5 1.0
N A:SER197 4.7 9.8 1.0
CA A:HIS69 4.9 8.6 1.0
C28 A:983401 4.9 11.9 1.0
OE1 A:GLU270 5.0 12.1 1.0
N A:HIS69 5.0 8.9 1.0

Zinc binding site 2 out of 3 in 2pjb

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

b:12.4
occ:1.00
 OE1 B:GLU72 2.1 12.5 1.0
ND1 B:HIS69 2.1 10.0 1.0
ND1 B:HIS196 2.1 8.8 1.0
O25 B:983501 2.3 12.4 1.0
OE2 B:GLU72 2.5 11.3 1.0
CD B:GLU72 2.6 11.4 1.0
O26 B:983501 2.7 13.3 1.0
P24 B:983501 2.9 11.2 1.0
CE1 B:HIS69 3.0 10.3 1.0
CE1 B:HIS196 3.1 9.1 1.0
CG B:HIS69 3.2 8.4 1.0
CG B:HIS196 3.2 8.4 1.0
CB B:HIS196 3.5 8.3 1.0
CB B:HIS69 3.6 9.1 1.0
CG B:GLU72 4.1 10.9 1.0
O B:HOH550 4.1 12.9 1.0
C27 B:983501 4.2 12.1 1.0
O B:SER197 4.2 8.7 1.0
NE2 B:HIS69 4.2 9.4 1.0
O B:HOH545 4.2 11.7 1.0
NE2 B:HIS196 4.3 8.0 1.0
CD2 B:HIS69 4.3 10.0 1.0
C15 B:983501 4.3 10.0 1.0
CD2 B:HIS196 4.3 8.5 1.0
NH1 B:ARG127 4.4 10.9 1.0
C1 B:983501 4.4 10.2 1.0
CA B:HIS196 4.5 8.1 1.0
O14 B:983501 4.6 9.2 1.0
C2 B:983501 4.6 10.1 1.0
OE2 B:GLU270 4.6 15.1 1.0
N B:SER197 4.7 8.4 1.0
OE1 B:GLU270 4.9 11.9 1.0
CA B:HIS69 4.9 8.4 1.0

Zinc binding site 3 out of 3 in 2pjb

Go back to Zinc Binding Sites List in 2pjb
Zinc binding site 3 out of 3 in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2-(3-Aminomethyl-Phenyl)-3-{[1-((S)-2- Benzyloxycarbonylamino-3-Phenyl-Propane-1-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-{[1-((S)-2- Benzyloxycarbonylamino-3-Phenyl-Propane-1-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 8.3 1.0
ND1 C:HIS69 2.1 9.6 1.0
OE1 C:GLU72 2.1 9.7 1.0
O25 C:983601 2.3 10.6 1.0
OE2 C:GLU72 2.5 9.5 1.0
CD C:GLU72 2.6 8.7 1.0
O26 C:983601 2.7 12.2 1.0
P24 C:983601 2.9 10.6 1.0
CE1 C:HIS69 3.0 9.0 1.0
CE1 C:HIS196 3.0 9.1 1.0
CG C:HIS196 3.1 8.2 1.0
CG C:HIS69 3.2 9.5 1.0
CB C:HIS196 3.4 7.7 1.0
CB C:HIS69 3.6 9.0 1.0
O C:HOH640 4.1 13.6 1.0
C27 C:983601 4.1 9.5 1.0
CG C:GLU72 4.1 7.4 1.0
O C:SER197 4.2 9.7 1.0
NE2 C:HIS69 4.2 10.4 1.0
NE2 C:HIS196 4.2 8.8 1.0
CD2 C:HIS196 4.3 8.9 1.0
C15 C:983601 4.3 10.1 1.0
CD2 C:HIS69 4.3 10.2 1.0
O C:HOH642 4.3 8.6 1.0
C1 C:983601 4.3 8.8 1.0
NH1 C:ARG127 4.4 11.8 1.0
CA C:HIS196 4.5 7.3 1.0
O14 C:983601 4.5 9.2 1.0
C2 C:983601 4.6 9.4 1.0
OE2 C:GLU270 4.7 15.8 1.0
N C:SER197 4.7 9.9 1.0
OE1 C:GLU270 4.9 14.3 1.0
CA C:HIS69 4.9 8.4 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 03:04:32 2024

Last articles

Mn in 2FBV
Mn in 2FAR
Mn in 2FAQ
Mn in 2FAF
Mn in 2F89
Mn in 2F8E
Mn in 2F6K
Mn in 2F5F
Mn in 2F5E
Mn in 2F5D
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy