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Chlorine in PDB 4eny: Crystal Structure of Pim-1 Kinase in Complex with (2E,5Z)-2-(2- Chlorophenylimino)-5-(4-Hydroxy-3-Methoxybenzylidene)Thiazolidin-4- One

Enzymatic activity of Crystal Structure of Pim-1 Kinase in Complex with (2E,5Z)-2-(2- Chlorophenylimino)-5-(4-Hydroxy-3-Methoxybenzylidene)Thiazolidin-4- One

All present enzymatic activity of Crystal Structure of Pim-1 Kinase in Complex with (2E,5Z)-2-(2- Chlorophenylimino)-5-(4-Hydroxy-3-Methoxybenzylidene)Thiazolidin-4- One:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Pim-1 Kinase in Complex with (2E,5Z)-2-(2- Chlorophenylimino)-5-(4-Hydroxy-3-Methoxybenzylidene)Thiazolidin-4- One, PDB code: 4eny was solved by L.J.Parker, N.Handa, S.Yokoyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.67 / 2.80
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 96.765, 96.765, 80.963, 90.00, 90.00, 120.00
R / Rfree (%) 17.3 / 22.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Pim-1 Kinase in Complex with (2E,5Z)-2-(2- Chlorophenylimino)-5-(4-Hydroxy-3-Methoxybenzylidene)Thiazolidin-4- One (pdb code 4eny). 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 Pim-1 Kinase in Complex with (2E,5Z)-2-(2- Chlorophenylimino)-5-(4-Hydroxy-3-Methoxybenzylidene)Thiazolidin-4- One, PDB code: 4eny:

Chlorine binding site 1 out of 1 in 4eny

Go back to Chlorine Binding Sites List in 4eny
Chlorine binding site 1 out of 1 in the Crystal Structure of Pim-1 Kinase in Complex with (2E,5Z)-2-(2- Chlorophenylimino)-5-(4-Hydroxy-3-Methoxybenzylidene)Thiazolidin-4- One


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 Pim-1 Kinase in Complex with (2E,5Z)-2-(2- Chlorophenylimino)-5-(4-Hydroxy-3-Methoxybenzylidene)Thiazolidin-4- One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:58.1
occ:0.90
 CL7 A:J19404 0.0 58.1 0.9
C5 A:J19404 1.7 53.3 0.9
C6 A:J19404 2.6 47.1 0.9
C4 A:J19404 2.7 46.3 0.9
N8 A:J19404 3.0 31.8 0.9
CE A:LYS67 3.5 26.8 1.0
C A:GLY50 3.6 56.6 1.0
O A:PHE49 3.7 92.1 1.0
O A:GLY50 3.7 63.0 1.0
N A:SER51 3.8 44.4 1.0
C9 A:J19404 3.8 27.2 0.9
C A:SER51 3.9 39.3 1.0
CD A:LYS67 3.9 30.8 1.0
CG A:LYS67 3.9 29.0 1.0
CB A:VAL52 3.9 39.5 1.0
C1 A:J19404 3.9 40.8 0.9
C3 A:J19404 4.0 44.8 0.9
N A:VAL52 4.1 26.9 1.0
CG1 A:VAL52 4.1 33.1 1.0
CA A:GLY50 4.1 72.1 1.0
C A:PHE49 4.1 92.8 1.0
CA A:SER51 4.1 44.1 1.0
NZ A:LYS67 4.1 23.2 1.0
O A:SER51 4.2 47.6 1.0
N A:GLY50 4.3 90.9 1.0
C2 A:J19404 4.5 44.2 0.9
CA A:VAL52 4.5 32.0 1.0
S13 A:J19404 4.5 42.4 0.9
N10 A:J19404 4.7 25.9 0.9
CB A:PHE49 4.8 89.6 1.0
CB A:LYS67 4.9 23.3 1.0
O A:GLY45 4.9 52.0 1.0

Reference:

L.J.Parker, H.Watanabe, K.Tsuganezawa, Y.Tomabechi, N.Handa, M.Shirouzu, H.Yuki, T.Honma, N.Ogawa, T.Nagano, S.Yokoyama, A.Tanaka. Flexibility of the P-Loop of Pim-1 Kinase: Observation of A Novel Conformation Induced By Interaction with An Inhibitor Acta Crystallogr.,Sect.F V. 68 860 2012.
ISSN: ESSN 1744-3091
PubMed: 22869110
DOI: 10.1107/S1744309112027108
Page generated: Sun Jul 21 13:08:25 2024

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