Atomistry » Zinc » PDB 2paj-2poj » 2pjc
Atomistry »
  Zinc »
    PDB 2paj-2poj »
      2pjc »

Zinc in PDB 2pjc: Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic Acid Complex

Enzymatic activity of Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic Acid Complex

All present enzymatic activity of Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic Acid Complex:
3.4.17.2;

Protein crystallography data

The structure of Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic Acid Complex, PDB code: 2pjc 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) 21.59 / 1.74
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.487, 95.350, 135.279, 90.00, 90.00, 90.00
R / Rfree (%) 22.4 / 25.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic Acid Complex (pdb code 2pjc). 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 ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic Acid Complex, PDB code: 2pjc:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 2pjc

Go back to Zinc Binding Sites List in 2pjc
Zinc binding site 1 out of 3 in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic 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 ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic Acid Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn400

b:19.1
occ:1.00
ND1 A:HIS69 2.0 17.3 1.0
O25 A:343401 2.1 17.1 1.0
ND1 A:HIS196 2.1 18.3 1.0
OE1 A:GLU72 2.1 16.9 1.0
OE2 A:GLU72 2.3 15.6 1.0
CD A:GLU72 2.5 17.1 1.0
O26 A:343401 2.9 19.6 1.0
P24 A:343401 2.9 18.5 1.0
CE1 A:HIS69 3.0 17.4 1.0
CG A:HIS196 3.1 15.8 1.0
CG A:HIS69 3.1 18.7 1.0
CE1 A:HIS196 3.2 18.4 1.0
CB A:HIS196 3.4 14.6 1.0
CB A:HIS69 3.5 17.6 1.0
O A:HOH410 4.0 15.7 1.0
CG A:GLU72 4.0 17.0 1.0
O23 A:343401 4.1 16.1 1.0
O A:SER197 4.1 16.1 1.0
NE2 A:HIS69 4.1 16.1 1.0
C27 A:343401 4.2 19.2 1.0
C1 A:343401 4.2 16.8 1.0
CD2 A:HIS69 4.2 17.2 1.0
O A:HOH502 4.3 20.4 1.0
CD2 A:HIS196 4.3 16.6 1.0
NE2 A:HIS196 4.3 17.0 1.0
CA A:HIS196 4.3 15.3 1.0
OE2 A:GLU270 4.4 18.4 1.0
NH1 A:ARG127 4.5 18.8 1.0
N A:SER197 4.5 16.2 1.0
CA A:HIS69 4.8 16.9 1.0
C2 A:343401 4.9 18.2 1.0
N A:HIS69 4.9 17.4 1.0
O14 A:343401 4.9 17.8 1.0
CB A:GLU72 4.9 15.2 1.0
C A:HIS196 5.0 14.7 1.0

Zinc binding site 2 out of 3 in 2pjc

Go back to Zinc Binding Sites List in 2pjc
Zinc binding site 2 out of 3 in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic 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 ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic Acid Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn500

b:19.1
occ:1.00
O25 B:343501 2.1 19.3 1.0
ND1 B:HIS69 2.1 16.9 1.0
ND1 B:HIS196 2.1 14.8 1.0
OE1 B:GLU72 2.2 17.9 1.0
OE2 B:GLU72 2.3 18.0 1.0
CD B:GLU72 2.5 17.1 1.0
O26 B:343501 2.9 17.8 1.0
P24 B:343501 2.9 18.7 1.0
CE1 B:HIS69 3.0 18.8 1.0
CE1 B:HIS196 3.1 16.1 1.0
CG B:HIS196 3.2 15.3 1.0
CG B:HIS69 3.2 16.1 1.0
CB B:HIS196 3.4 13.9 1.0
CB B:HIS69 3.5 16.2 1.0
O B:HOH506 4.0 18.2 1.0
CG B:GLU72 4.0 17.1 1.0
O23 B:343501 4.0 19.2 1.0
O B:SER197 4.1 18.3 1.0
C27 B:343501 4.2 17.8 1.0
C1 B:343501 4.2 18.3 1.0
NE2 B:HIS69 4.2 17.3 1.0
O B:HOH526 4.3 21.6 1.0
NE2 B:HIS196 4.3 16.2 1.0
CD2 B:HIS69 4.3 16.7 1.0
CD2 B:HIS196 4.3 16.1 1.0
CA B:HIS196 4.4 16.4 1.0
OE2 B:GLU270 4.5 18.5 1.0
NH1 B:ARG127 4.6 20.2 1.0
N B:SER197 4.6 16.1 1.0
C2 B:343501 4.8 18.4 1.0
O14 B:343501 4.8 15.9 1.0
CA B:HIS69 4.8 16.3 1.0
N B:HIS69 4.9 16.3 1.0
CB B:GLU72 4.9 15.9 1.0
OE1 B:GLU270 5.0 15.5 1.0

Zinc binding site 3 out of 3 in 2pjc

Go back to Zinc Binding Sites List in 2pjc
Zinc binding site 3 out of 3 in the Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic 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 ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3- (4-Hydroxy-Phenyl)-Propionylamino]-2-Methyl-Propyl}- Hydroxy-Phosphinoyloxy)-(3-Guanidino-Phenyl)-Acetic Acid Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn600

b:18.5
occ:1.00
O25 C:343601 2.1 17.9 1.0
ND1 C:HIS69 2.1 16.7 1.0
ND1 C:HIS196 2.1 18.2 1.0
OE1 C:GLU72 2.2 15.8 1.0
OE2 C:GLU72 2.3 17.7 1.0
CD C:GLU72 2.6 16.1 1.0
P24 C:343601 2.9 18.4 1.0
O26 C:343601 2.9 18.2 1.0
CE1 C:HIS69 3.0 18.1 1.0
CG C:HIS196 3.1 17.4 1.0
CE1 C:HIS196 3.1 19.1 1.0
CG C:HIS69 3.2 17.2 1.0
CB C:HIS196 3.4 16.2 1.0
CB C:HIS69 3.5 15.4 1.0
CG C:GLU72 4.1 15.4 1.0
O23 C:343601 4.1 17.1 1.0
O C:HOH604 4.1 17.0 1.0
O C:SER197 4.1 17.8 1.0
C27 C:343601 4.2 17.7 1.0
NE2 C:HIS69 4.2 18.1 1.0
C1 C:343601 4.2 17.5 1.0
CD2 C:HIS196 4.3 17.6 1.0
NE2 C:HIS196 4.3 16.0 1.0
CD2 C:HIS69 4.3 17.6 1.0
CA C:HIS196 4.4 16.4 1.0
O C:HOH605 4.4 18.2 1.0
OE2 C:GLU270 4.4 19.0 1.0
NH1 C:ARG127 4.5 16.0 1.0
N C:SER197 4.6 18.2 1.0
C2 C:343601 4.8 18.5 1.0
CA C:HIS69 4.8 15.5 1.0
N C:HIS69 4.9 15.6 1.0
O14 C:343601 4.9 15.6 1.0
CB C:GLU72 4.9 16.1 1.0
OE1 C:GLU270 5.0 17.4 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: Wed Dec 16 03:48:25 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy