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Chlorine in PDB 4e93: Crystal Structure of Human Feline Sarcoma Viral Oncogene Homologue (V- Fes)in Complex with TAE684

Enzymatic activity of Crystal Structure of Human Feline Sarcoma Viral Oncogene Homologue (V- Fes)in Complex with TAE684

All present enzymatic activity of Crystal Structure of Human Feline Sarcoma Viral Oncogene Homologue (V- Fes)in Complex with TAE684:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of Human Feline Sarcoma Viral Oncogene Homologue (V- Fes)in Complex with TAE684, PDB code: 4e93 was solved by P.Filippakopoulos, E.Salah, C.V.Miduturu, O.Fedorov, C.Cooper, F.Vondelft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, N.S.Gray, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.97 / 1.84
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.970, 35.330, 100.720, 90.00, 96.58, 90.00
R / Rfree (%) 18.6 / 23.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Feline Sarcoma Viral Oncogene Homologue (V- Fes)in Complex with TAE684 (pdb code 4e93). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Feline Sarcoma Viral Oncogene Homologue (V- Fes)in Complex with TAE684, PDB code: 4e93:

Chlorine binding site 1 out of 1 in 4e93

Go back to Chlorine Binding Sites List in 4e93
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Feline Sarcoma Viral Oncogene Homologue (V- Fes)in Complex with TAE684


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Feline Sarcoma Viral Oncogene Homologue (V- Fes)in Complex with TAE684 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:21.1
occ:1.00
 CL A:GUI901 0.0 21.1 1.0
C1 A:GUI901 1.7 18.9 1.0
C6 A:GUI901 2.7 13.2 1.0
C2 A:GUI901 2.7 16.9 1.0
N29 A:GUI901 3.0 22.2 1.0
O41 A:GUI901 3.5 21.1 1.0
O A:HOH1077 3.7 34.0 1.0
CE A:MET636 3.8 24.9 1.0
CB A:MET636 3.8 22.1 1.0
CG A:MET636 3.8 34.1 1.0
N5 A:GUI901 3.9 14.6 1.0
N3 A:GUI901 4.0 16.0 1.0
CB A:ALA588 4.0 17.7 1.0
CD1 A:LEU690 4.1 31.9 1.0
CD A:LYS590 4.2 23.8 1.0
C30 A:GUI901 4.3 19.0 1.0
CG1 A:VAL620 4.3 18.0 1.0
C4 A:GUI901 4.4 17.1 1.0
CG A:LYS590 4.6 19.7 1.0
O A:GLU637 4.7 16.5 1.0
C38 A:GUI901 4.7 28.9 1.0
S36 A:GUI901 4.8 21.6 1.0
SD A:MET636 4.8 38.8 1.0
C31 A:GUI901 5.0 17.2 1.0

Reference:

S.Hellwig, C.V.Miduturu, S.Kanda, J.Zhang, P.Filippakopoulos, E.Salah, X.Deng, H.G.Choi, W.Zhou, W.Hur, S.Knapp, N.S.Gray, T.E.Smithgall. Small-Molecule Inhibitors of the C-Fes Protein-Tyrosine Kinase. Chem.Biol. V. 19 529 2012.
ISSN: ISSN 1074-5521
PubMed: 22520759
DOI: 10.1016/J.CHEMBIOL.2012.01.020
Page generated: Sun Jul 21 12:39:36 2024

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