Atomistry » Calcium » PDB 2bir-2bw1 » 2bq7
Atomistry »
  Calcium »
    PDB 2bir-2bw1 »
      2bq7 »

Calcium in PDB 2bq7: Crystal Structure of Factor Xa in Complex with 43

Enzymatic activity of Crystal Structure of Factor Xa in Complex with 43

All present enzymatic activity of Crystal Structure of Factor Xa in Complex with 43:
3.4.21.6;

Protein crystallography data

The structure of Crystal Structure of Factor Xa in Complex with 43, PDB code: 2bq7 was solved by M.Nazare, D.W.Will, H.Matter, H.Schreuder, K.Ritter, M.Urmann, M.Essrich, A.Bauer, M.Wagner, J.Czech, V.Laux, V.Wehner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 200.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.940, 72.050, 78.550, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Factor Xa in Complex with 43 (pdb code 2bq7). 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 Factor Xa in Complex with 43, PDB code: 2bq7:

Calcium binding site 1 out of 1 in 2bq7

Go back to Calcium Binding Sites List in 2bq7
Calcium binding site 1 out of 1 in the Crystal Structure of Factor Xa in Complex with 43


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 Factor Xa in Complex with 43 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1245

b:71.7
occ:1.00
OD1 B:ASP70 2.7 45.8 1.0
O B:ASN72 2.7 52.4 1.0
O B:GLN75 2.9 70.4 1.0
O B:HOH2068 2.9 96.5 1.0
O B:HOH2071 3.0 61.6 1.0
OE2 B:GLU80 3.1 59.7 1.0
C B:GLN75 3.4 70.1 1.0
CD B:GLU80 3.5 58.8 1.0
CG B:GLU80 3.5 57.5 1.0
CA B:GLU76 3.6 71.1 1.0
CG B:ASP70 3.6 45.0 1.0
N B:GLU76 3.7 70.7 1.0
C B:ASN72 3.7 52.5 1.0
O B:HOH2076 3.8 51.2 1.0
N B:GLN75 4.1 67.8 1.0
OD2 B:ASP70 4.2 45.6 1.0
O B:HOH2074 4.3 72.7 1.0
CG B:GLU76 4.3 72.7 1.0
N B:GLU77 4.3 70.7 1.0
OE1 B:GLU80 4.4 59.1 1.0
CA B:GLN75 4.4 69.4 1.0
C B:THR73 4.5 59.4 1.0
CA B:THR73 4.5 57.3 1.0
N B:THR73 4.5 54.8 1.0
C B:GLU76 4.5 71.0 1.0
CB B:GLU76 4.6 71.7 1.0
N B:ASN72 4.6 48.8 1.0
CA B:ASN72 4.7 51.2 1.0
CB B:ASP70 4.7 44.2 1.0
O B:THR73 4.7 59.2 1.0
N B:GLU74 4.8 61.9 1.0
CB B:GLU80 4.8 56.2 1.0
CB B:ASN72 4.9 51.4 1.0
CA B:ASP70 5.0 43.2 1.0

Reference:

M.Nazare, D.W.Will, H.Matter, H.Schreuder, K.Ritter, M.Urmann, M.Essrich, A.Bauer, M.Wagner, J.Czech, M.Lorenz, V.Laux, V.Wehner. Probing the Subpockets of Factor Xa Reveals Two Binding Modes For Inhibitors Based on A 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem. V. 48 4511 2005.
ISSN: ISSN 0022-2623
PubMed: 15999990
DOI: 10.1021/JM0490540
Page generated: Sat Dec 12 03:32:45 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