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: Wed Dec 16 03:31:58 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