Atomistry » Zinc » PDB 2ja8-2jt6 » 2jew
Atomistry »
  Zinc »
    PDB 2ja8-2jt6 »
      2jew »

Zinc in PDB 2jew: Crystal Structure of ((2S)-5-Amino-2-((1-N-Propyl-1H-Imidazol-4-Yl) Methyl)Pentanoic Acid) UK396,082 A Tafia Inhibitor, Bound to Activated Porcine Pancreatic Carboxypeptidaseb

Enzymatic activity of Crystal Structure of ((2S)-5-Amino-2-((1-N-Propyl-1H-Imidazol-4-Yl) Methyl)Pentanoic Acid) UK396,082 A Tafia Inhibitor, Bound to Activated Porcine Pancreatic Carboxypeptidaseb

All present enzymatic activity of Crystal Structure of ((2S)-5-Amino-2-((1-N-Propyl-1H-Imidazol-4-Yl) Methyl)Pentanoic Acid) UK396,082 A Tafia Inhibitor, Bound to Activated Porcine Pancreatic Carboxypeptidaseb:
3.4.17.2;

Protein crystallography data

The structure of Crystal Structure of ((2S)-5-Amino-2-((1-N-Propyl-1H-Imidazol-4-Yl) Methyl)Pentanoic Acid) UK396,082 A Tafia Inhibitor, Bound to Activated Porcine Pancreatic Carboxypeptidaseb, PDB code: 2jew was solved by D.G.Brown, R.S.Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.00 / 1.40
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 84.090, 84.090, 92.820, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 21

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of ((2S)-5-Amino-2-((1-N-Propyl-1H-Imidazol-4-Yl) Methyl)Pentanoic Acid) UK396,082 A Tafia Inhibitor, Bound to Activated Porcine Pancreatic Carboxypeptidaseb (pdb code 2jew). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of ((2S)-5-Amino-2-((1-N-Propyl-1H-Imidazol-4-Yl) Methyl)Pentanoic Acid) UK396,082 A Tafia Inhibitor, Bound to Activated Porcine Pancreatic Carboxypeptidaseb, PDB code: 2jew:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2jew

Go back to Zinc Binding Sites List in 2jew
Zinc binding site 1 out of 2 in the Crystal Structure of ((2S)-5-Amino-2-((1-N-Propyl-1H-Imidazol-4-Yl) Methyl)Pentanoic Acid) UK396,082 A Tafia Inhibitor, Bound to Activated Porcine Pancreatic Carboxypeptidaseb


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 ((2S)-5-Amino-2-((1-N-Propyl-1H-Imidazol-4-Yl) Methyl)Pentanoic Acid) UK396,082 A Tafia Inhibitor, Bound to Activated Porcine Pancreatic Carboxypeptidaseb within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1308

b:6.7
occ:1.00
O A:HOH2302 2.1 7.6 1.0
OE2 A:GLU85 2.3 9.0 1.0
OE1 A:GLU291 2.3 9.6 1.0
OE2 A:GLU291 2.5 8.3 1.0
CD A:GLU291 2.8 6.9 1.0
CD A:GLU85 3.2 7.3 1.0
OE1 A:GLU85 3.3 8.9 1.0
NH1 A:ARG84 3.9 7.1 1.0
CG A:GLU291 4.2 7.1 1.0
NE1 A:TRP81 4.2 5.7 1.0
O A:HOH2297 4.3 18.2 1.0
O A:HOH2295 4.3 7.2 1.0
CG A:GLU85 4.5 7.2 1.0
CZ2 A:TRP81 4.9 6.7 1.0
CE2 A:TRP81 4.9 5.5 1.0

Zinc binding site 2 out of 2 in 2jew

Go back to Zinc Binding Sites List in 2jew
Zinc binding site 2 out of 2 in the Crystal Structure of ((2S)-5-Amino-2-((1-N-Propyl-1H-Imidazol-4-Yl) Methyl)Pentanoic Acid) UK396,082 A Tafia Inhibitor, Bound to Activated Porcine Pancreatic Carboxypeptidaseb


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 ((2S)-5-Amino-2-((1-N-Propyl-1H-Imidazol-4-Yl) Methyl)Pentanoic Acid) UK396,082 A Tafia Inhibitor, Bound to Activated Porcine Pancreatic Carboxypeptidaseb within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1309

b:5.9
occ:1.00
N2 A:7201310 2.2 2.0 1.0
ND1 A:HIS69 2.3 7.0 1.0
OE1 A:GLU72 2.3 5.9 1.0
ND1 A:HIS196 2.4 11.1 1.0
OE2 A:GLU72 2.5 7.2 1.0
CD A:GLU72 2.8 7.9 1.0
CG A:7201310 3.1 7.7 1.0
CE1 A:HIS69 3.2 5.8 1.0
CG A:HIS69 3.2 4.5 1.0
CG2 A:7201310 3.2 6.4 1.0
CG A:HIS196 3.2 5.1 1.0
CB A:HIS196 3.4 7.8 1.0
CE1 A:HIS196 3.4 9.7 1.0
CB A:HIS69 3.5 6.5 1.0
CB2 A:7201310 3.6 6.9 1.0
O A:HOH2087 4.0 8.7 1.0
N1 A:7201310 4.2 8.1 1.0
O A:SER197 4.2 6.7 1.0
NE2 A:HIS69 4.2 5.7 1.0
CG A:GLU72 4.2 7.3 1.0
CD3 A:7201310 4.2 7.5 1.0
CD2 A:HIS69 4.3 6.8 1.0
CA A:HIS196 4.3 5.3 1.0
N A:SER197 4.4 6.4 1.0
CD2 A:HIS196 4.4 10.4 1.0
NH2 A:ARG127 4.4 8.9 1.0
NE2 A:HIS196 4.4 12.8 1.0
O A:HOH2089 4.6 7.9 1.0
OXT A:7201310 4.6 7.3 1.0
CA A:HIS69 4.8 5.5 1.0
O A:HOH2304 4.8 12.0 1.0
N A:HIS69 4.9 6.4 1.0
CA2 A:7201310 4.9 6.3 1.0
C A:7201310 4.9 7.7 1.0
CB A:GLU72 4.9 5.5 1.0
C A:HIS196 4.9 5.9 1.0

Reference:

M.E.Bunnage, J.Blagg, J.Steele, D.R.Owen, C.Allerton, A.B.Mcelroy, D.Miller, T.Ringer, K.Butcher, K.Beaumont, K.Evans, A.J.Gray, S.J.Holland, N.Feeder, R.S.Moore, D.G.Brown. Discovery of Potent & Selective Inhibitors of Activated Thrombin-Activatable Fibrinolysis Inhibitor For the Treatment of Thrombosis. J. Med. Chem. V. 50 6095 2007.
ISSN: ISSN 0022-2623
PubMed: 17990866
DOI: 10.1021/JM0702433
Page generated: Thu Oct 17 01:12:43 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy