Atomistry » Calcium » PDB 1llp-1ltj » 1lpk
Atomistry »
  Calcium »
    PDB 1llp-1ltj »
      1lpk »

Calcium in PDB 1lpk: Crystal Structure of Fxa in Complex with 125.

Enzymatic activity of Crystal Structure of Fxa in Complex with 125.

All present enzymatic activity of Crystal Structure of Fxa in Complex with 125.:
3.4.21.6;

Protein crystallography data

The structure of Crystal Structure of Fxa in Complex with 125., PDB code: 1lpk was solved by H.A.Schreuder, P.Loenze, V.Brachvogel, A.Liesum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.702, 72.196, 78.612, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 28

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Fxa in Complex with 125. (pdb code 1lpk). 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 Crystal Structure of Fxa in Complex with 125., PDB code: 1lpk:

Calcium binding site 1 out of 1 in 1lpk

Go back to Calcium Binding Sites List in 1lpk
Calcium binding site 1 out of 1 in the Crystal Structure of Fxa in Complex with 125.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Fxa in Complex with 125. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1

b:60.9
occ:1.00
O B:HOH372 2.2 13.3 1.0
O B:HOH388 2.3 52.6 1.0
O B:GLN75 2.3 67.7 1.0
OD1 B:ASP70 2.8 25.9 1.0
OD2 B:ASP70 3.1 23.4 1.0
O B:ASN72 3.1 32.3 1.0
CG B:ASP70 3.2 24.0 1.0
O B:THR73 3.4 42.7 1.0
C B:GLN75 3.6 67.6 1.0
OE1 B:GLU80 3.6 37.5 1.0
CG B:GLU80 3.8 31.9 1.0
CD B:GLU80 3.8 35.4 1.0
C B:THR73 4.0 40.5 1.0
OE1 B:GLU76 4.1 80.5 1.0
CA B:THR73 4.1 37.4 1.0
C B:ASN72 4.1 30.1 1.0
O B:HOH383 4.2 42.3 1.0
OE2 B:GLU76 4.2 80.2 1.0
N B:GLN75 4.2 62.1 1.0
CD B:GLU76 4.3 78.0 1.0
N B:GLU76 4.4 70.2 1.0
CA B:GLU76 4.5 70.7 1.0
NH1 B:ARG67 4.5 24.8 1.0
CA B:GLN75 4.5 66.0 1.0
N B:THR73 4.5 32.6 1.0
CB B:ASP70 4.6 23.5 1.0
O B:HOH468 4.6 42.1 1.0
OE2 B:GLU80 4.6 40.8 1.0
O B:HOH442 4.7 20.3 1.0
CB B:GLU80 4.7 27.7 1.0
CD B:ARG67 4.7 15.9 1.0
CZ B:ARG67 4.8 24.8 1.0
NE B:ARG67 4.9 22.8 1.0
N B:GLU74 5.0 44.0 1.0

Reference:

H.Matter, E.Defossa, U.Heinelt, P.M.Blohm, D.Schneider, A.Mueller, S.Herok, H.A.Schreuder, A.Liesum, V.Brachvogel, P.Loenze, A.Walser, F.Al-Obeidi, P.Wildgoose. Design and Quantitative Structure-Activity Relationship of 3-Amidinobenzyl-1H-Indole-2-Carboxamides As Potent, Nonchiral, and Selective Inhibitors of Blood Coagulation Factor Xa J.Med.Chem. V. 45 2749 2002.
ISSN: ISSN 0022-2623
PubMed: 12061878
DOI: 10.1021/JM0111346
Page generated: Sat Dec 12 03:05:37 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