Atomistry » Calcium » PDB 2bw7-2c4x » 2c0i
Atomistry »
  Calcium »
    PDB 2bw7-2c4x »
      2c0i »

Calcium in PDB 2c0i: Src Family Kinase Hck with Bound Inhibitor A-420983

Enzymatic activity of Src Family Kinase Hck with Bound Inhibitor A-420983

All present enzymatic activity of Src Family Kinase Hck with Bound Inhibitor A-420983:
2.7.1.112;

Protein crystallography data

The structure of Src Family Kinase Hck with Bound Inhibitor A-420983, PDB code: 2c0i was solved by D.W.Borhani, A.Burchat, D.J.Calderwood, G.C.Hirst, B.Li, A.Loew, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.96 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.078, 73.124, 179.485, 90.00, 95.97, 90.00
R / Rfree (%) 22.2 / 27.4

Calcium Binding Sites:

The binding sites of Calcium atom in the Src Family Kinase Hck with Bound Inhibitor A-420983 (pdb code 2c0i). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Src Family Kinase Hck with Bound Inhibitor A-420983, PDB code: 2c0i:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 2c0i

Go back to Calcium Binding Sites List in 2c0i
Calcium binding site 1 out of 2 in the Src Family Kinase Hck with Bound Inhibitor A-420983


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Src Family Kinase Hck with Bound Inhibitor A-420983 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1507

b:44.6
occ:1.00
O A:HOH2166 2.2 41.0 1.0
O A:HOH2169 2.2 48.0 1.0
O A:GLU498 2.3 44.5 1.0
O A:HOH2171 2.3 47.7 1.0
OE2 B:GLU464 2.4 45.7 1.0
O A:PTR501 2.4 49.2 1.0
OE1 B:GLU464 2.6 44.9 1.0
CD B:GLU464 2.9 46.1 1.0
C A:GLU498 3.5 43.5 1.0
C A:PTR501 3.6 49.9 1.0
OE2 A:GLU498 3.9 48.0 1.0
N A:PTR501 4.2 48.2 1.0
CA A:PTR501 4.3 48.7 1.0
CD A:GLU498 4.3 47.4 1.0
CG B:GLU464 4.4 45.9 1.0
CA A:GLU498 4.4 43.6 1.0
N A:SER499 4.4 43.4 1.0
CA A:SER499 4.5 44.0 1.0
CB A:PTR501 4.5 48.2 1.0
C A:GLU502 4.6 54.6 1.0
N A:GLU502 4.6 51.2 1.0
OE2 A:GLU503 4.7 57.5 1.0
N A:GLU503 4.7 56.3 1.0
CG A:GLU498 4.7 45.2 1.0
CA A:GLU502 4.8 53.3 1.0
C A:SER499 4.8 45.0 1.0
O A:GLU502 4.8 54.9 1.0
N A:GLN500 4.9 45.5 1.0
CD A:GLU503 4.9 59.9 1.0
OE1 A:GLU498 5.0 45.6 1.0

Calcium binding site 2 out of 2 in 2c0i

Go back to Calcium Binding Sites List in 2c0i
Calcium binding site 2 out of 2 in the Src Family Kinase Hck with Bound Inhibitor A-420983


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Src Family Kinase Hck with Bound Inhibitor A-420983 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1507

b:44.4
occ:1.00
O B:PTR501 2.2 47.9 1.0
O B:HOH2088 2.3 54.2 1.0
O B:HOH2089 2.4 32.6 1.0
O B:HOH2096 2.4 52.8 1.0
O B:GLU498 2.4 41.2 1.0
OE2 A:GLU464 2.4 45.2 1.0
OE1 A:GLU464 2.4 44.1 1.0
CD A:GLU464 2.8 45.4 1.0
C B:PTR501 3.4 49.3 1.0
C B:GLU498 3.5 41.6 1.0
N B:PTR501 4.1 46.7 1.0
CA B:PTR501 4.2 47.8 1.0
CG A:GLU464 4.3 45.1 1.0
OE2 B:GLU498 4.4 48.1 1.0
CA B:GLU498 4.4 41.3 1.0
N B:SER499 4.4 42.2 1.0
C B:GLU502 4.4 54.8 1.0
N B:GLU502 4.4 51.0 1.0
CA B:SER499 4.5 42.9 1.0
CD B:GLU498 4.5 44.7 1.0
O B:GLU502 4.6 56.0 1.0
CB B:PTR501 4.6 48.1 1.0
CG B:GLU498 4.6 43.1 1.0
CA B:GLU502 4.6 53.1 1.0
C B:SER499 4.7 43.7 1.0
N B:GLU503 4.7 56.7 1.0
N B:GLN500 4.7 43.6 1.0
CB A:PRO462 4.8 52.3 1.0
CG B:GLU503 4.8 59.2 1.0

Reference:

A.Burchat, D.W.Borhani, D.J.Calderwood, G.C.Hirst, B.Li, R.F.Stachlewitz. Discovery of A-770041, A Src-Family Selective Orally Active Lck Inhibitor That Prevents Organ Allograft Rejection. Bioorg.Med.Chem.Lett. V. 16 118 2006.
ISSN: ISSN 0960-894X
PubMed: 16216497
DOI: 10.1016/J.BMCL.2005.09.039
Page generated: Fri Jul 12 09:15:41 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy