Chlorine in PDB 4xg9: Crystal Structure of An Inhibitor-Bound Syk

All present enzymatic activity of Crystal Structure of An Inhibitor-Bound Syk:
2.7.10.2;

The structure of Crystal Structure of An Inhibitor-Bound Syk, PDB code: 4xg9 was solved by S.J.Lee, J.Choi, B.G.Han, H.Song, J.S.Koh, B.I.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.91
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	40.068, 42.094, 87.899, 99.90, 90.42, 100.66
R / Rfree (%)	20.9 / 24.1

The binding sites of Chlorine atom in the Crystal Structure of An Inhibitor-Bound Syk (pdb code 4xg9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of An Inhibitor-Bound Syk, PDB code: 4xg9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An Inhibitor-Bound Syk


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 An Inhibitor-Bound Syk within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl700 b:39.4 occ:1.00 CL1 A:X9G700 0.0 39.4 1.0 CAW A:X9G700 1.7 39.6 1.0 CAU A:X9G700 2.7 39.9 1.0 CAZ A:X9G700 2.7 39.4 1.0 CAB A:X9G700 3.2 40.3 1.0 CAJ A:X9G700 3.3 38.4 1.0 CAN A:X9G700 3.7 40.3 1.0 NBC A:X9G700 3.7 40.2 1.0 NBD A:X9G700 3.8 39.8 1.0 CBA A:X9G700 3.8 39.4 1.0 CAK A:X9G700 4.1 38.3 1.0 CAL A:X9G700 4.2 39.6 1.0 OAD A:X9G700 4.3 38.4 1.0 CG A:PRO455 4.3 36.5 1.0 N A:GLY378 4.4 60.7 1.0 CA A:GLY378 4.5 61.5 1.0 CB A:VAL385 4.6 52.5 1.0 CBB A:X9G700 4.6 39.6 1.0 CAV A:X9G700 4.6 39.0 1.0 CD A:PRO455 4.6 36.8 1.0 CG2 A:VAL385 4.6 52.7 1.0 CB A:LEU377 4.7 59.6 1.0 CAT A:X9G700 4.7 38.0 1.0 CG1 A:VAL385 4.8 53.1 1.0 C A:LEU377 4.9 60.0 1.0 CAM A:X9G700 5.0 39.3 1.0 N3 A:X9G700 5.0 38.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An Inhibitor-Bound Syk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of An Inhibitor-Bound Syk within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl700 b:43.4 occ:1.00 CL1 B:X9G700 0.0 43.4 1.0 CAW B:X9G700 1.6 43.6 1.0 CAU B:X9G700 2.5 44.1 1.0 CAZ B:X9G700 2.7 42.5 1.0 CAB B:X9G700 3.0 43.9 1.0 CAJ B:X9G700 3.4 41.5 1.0 NBD B:X9G700 3.6 44.1 1.0 CBA B:X9G700 3.7 43.0 1.0 CAN B:X9G700 3.9 41.5 1.0 NBC B:X9G700 4.1 41.1 1.0 CG B:PRO455 4.1 40.3 1.0 CAK B:X9G700 4.2 39.5 1.0 OAD B:X9G700 4.4 43.5 1.0 CD B:PRO455 4.4 40.5 1.0 CAL B:X9G700 4.5 40.1 1.0 N B:GLY378 4.5 72.3 1.0 CG2 B:VAL385 4.6 58.0 1.0 CB B:LEU377 4.6 70.5 1.0 CA B:GLY378 4.7 74.2 1.0 CAV B:X9G700 4.7 39.8 1.0 CAT B:X9G700 4.7 41.6 1.0 CAC B:X9G700 4.8 44.9 1.0 CB B:VAL385 4.8 56.7 1.0 C B:LEU377 4.8 71.2 1.0 CBB B:X9G700 4.8 41.9 1.0 CAI B:X9G700 4.9 42.8 1.0

S.J.Lee, J.S.Choi, B.G.Han, H.S.Kim, H.J.Song, J.Lee, S.Nam, S.H.Goh, J.H.Kim, J.S.Koh, B.I.Lee. Crystal Structures of Spleen Tyrosine Kinase in Complex with Novel Inhibitors: Structural Insights For Design of Anticancer Drugs Febs J. V. 283 3613 2016.
ISSN: ISSN 1742-464X
PubMed: 27504936
DOI: 10.1111/FEBS.13831