Atomistry » Calcium » PDB 1px7-1qcp » 1qb1
Atomistry »
  Calcium »
    PDB 1px7-1qcp »
      1qb1 »

Calcium in PDB 1qb1: Bovine Trypsin with 1-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-6- [3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy]Pyridin-4- Yl]Piperidine-3-Carboxylic Acid (Zk-806974)

Enzymatic activity of Bovine Trypsin with 1-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-6- [3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy]Pyridin-4- Yl]Piperidine-3-Carboxylic Acid (Zk-806974)

All present enzymatic activity of Bovine Trypsin with 1-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-6- [3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy]Pyridin-4- Yl]Piperidine-3-Carboxylic Acid (Zk-806974):
3.4.21.4;

Protein crystallography data

The structure of Bovine Trypsin with 1-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-6- [3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy]Pyridin-4- Yl]Piperidine-3-Carboxylic Acid (Zk-806974), PDB code: 1qb1 was solved by M.Whitlow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.160, 63.780, 69.350, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 23.7

Other elements in 1qb1:

The structure of Bovine Trypsin with 1-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-6- [3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy]Pyridin-4- Yl]Piperidine-3-Carboxylic Acid (Zk-806974) also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Bovine Trypsin with 1-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-6- [3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy]Pyridin-4- Yl]Piperidine-3-Carboxylic Acid (Zk-806974) (pdb code 1qb1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Bovine Trypsin with 1-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-6- [3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy]Pyridin-4- Yl]Piperidine-3-Carboxylic Acid (Zk-806974), PDB code: 1qb1:

Calcium binding site 1 out of 1 in 1qb1

Go back to Calcium Binding Sites List in 1qb1
Calcium binding site 1 out of 1 in the Bovine Trypsin with 1-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-6- [3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy]Pyridin-4- Yl]Piperidine-3-Carboxylic Acid (Zk-806974)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Trypsin with 1-[2-[5-[Amino(Imino)Methyl]-2-Hydroxyphenoxy]-6- [3-(4,5-Dihydro-1-Methyl-1H-Imidazol-2-Yl)Phenoxy]Pyridin-4- Yl]Piperidine-3-Carboxylic Acid (Zk-806974) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:13.3
occ:1.00
 O A:VAL63 2.2 14.5 1.0
O A:ASN60 2.2 10.8 1.0
OE1 A:GLU58 2.3 11.9 1.0
OE2 A:GLU68 2.4 11.5 1.0
O A:HOH323 2.5 14.6 1.0
O A:HOH340 2.5 12.6 1.0
CD A:GLU58 3.3 16.3 1.0
CD A:GLU68 3.4 10.2 1.0
C A:ASN60 3.4 11.8 1.0
C A:VAL63 3.4 13.3 1.0
CG A:GLU68 3.7 14.8 1.0
OE2 A:GLU58 3.7 14.9 1.0
CA A:VAL64 4.2 14.4 1.0
N A:GLU65 4.2 15.5 1.0
CA A:ILE61 4.2 13.4 1.0
N A:VAL64 4.2 10.9 1.0
N A:VAL63 4.2 17.3 1.0
N A:ILE61 4.3 12.6 1.0
OE1 A:GLU65 4.3 16.5 1.0
N A:ASN60 4.4 13.2 1.0
CG A:GLU65 4.4 21.9 1.0
CA A:ASN60 4.4 12.8 1.0
CA A:VAL63 4.4 16.5 1.0
O A:HOH319 4.4 15.8 1.0
C A:ILE61 4.5 13.1 1.0
OE1 A:GLU68 4.6 13.4 1.0
N A:ASP59 4.6 13.7 1.0
C A:VAL64 4.7 16.2 1.0
CG A:GLU58 4.7 13.0 1.0
O A:HOH342 4.7 23.5 1.0
CD A:GLU65 4.7 23.1 1.0
CB A:ASN60 4.7 14.2 1.0
N A:ASN62 4.8 13.6 1.0
CB A:GLU65 4.9 19.2 1.0
CA A:GLU58 4.9 12.3 1.0
O A:ILE61 4.9 13.4 1.0
CB A:GLU58 5.0 10.1 1.0

Reference:

M.Whitlow, D.O.Arnaiz, B.O.Buckman, D.D.Davey, B.Griedel, W.J.Guilford, S.K.Koovakkat, A.Liang, R.Mohan, G.B.Phillips, M.Seto, K.J.Shaw, W.Xu, Z.Zhao, D.R.Light, M.M.Morrissey. Crystallographic Analysis of Potent and Selective Factor Xa Inhibitors Complexed to Bovine Trypsin. Acta Crystallogr.,Sect.D V. 55 1395 1999.
ISSN: ISSN 0907-4449
PubMed: 10417407
DOI: 10.1107/S0907444999007350
Page generated: Thu Jul 11 14:24:31 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy