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

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

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

Protein crystallography data

The structure of Crystal Structure of Pim-1 Kinase in Complex with Inhibitor (2E,5Z)-2- (2-Chlorophenylimino)-5-(4-Hydroxy-3-Nitrobenzylidene)Thiazolidin-4- One, PDB code: 4enx 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) 31.77 / 2.80
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 97.074, 97.074, 80.941, 90.00, 90.00, 120.00
R / Rfree (%) 19 / 23.3

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 1 in 4enx

Go back to Chlorine Binding Sites List in 4enx
Chlorine binding site 1 out of 1 in the Crystal Structure of Pim-1 Kinase in Complex with Inhibitor (2E,5Z)-2- (2-Chlorophenylimino)-5-(4-Hydroxy-3-Nitrobenzylidene)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 Inhibitor (2E,5Z)-2- (2-Chlorophenylimino)-5-(4-Hydroxy-3-Nitrobenzylidene)Thiazolidin-4- One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:30.0
occ:0.82
 CL1 A:Z20402 0.0 30.0 0.8
C3 A:Z20402 1.7 31.4 0.8
C4 A:Z20402 2.7 30.9 0.8
C2 A:Z20402 2.7 32.2 0.8
N7 A:Z20402 3.0 31.0 0.8
O A:PHE49 3.4 72.3 1.0
C A:GLY50 3.5 57.0 1.0
O A:GLY50 3.6 55.7 1.0
CE A:LYS67 3.6 32.0 1.0
C8 A:Z20402 3.8 30.9 0.8
C A:SER51 3.8 42.3 1.0
N A:SER51 3.8 47.8 1.0
CG A:LYS67 3.8 30.5 1.0
CB A:VAL52 3.8 37.9 1.0
CD A:LYS67 3.8 29.6 1.0
N A:VAL52 3.9 37.6 1.0
C A:PHE49 3.9 73.4 1.0
C5 A:Z20402 3.9 30.6 0.8
C1 A:Z20402 4.0 30.2 0.8
CA A:GLY50 4.0 62.0 1.0
O A:SER51 4.0 45.1 1.0
CA A:SER51 4.1 44.2 1.0
N A:GLY50 4.2 63.2 1.0
CG1 A:VAL52 4.2 37.8 1.0
CA A:VAL52 4.3 37.1 1.0
NZ A:LYS67 4.3 32.0 1.0
S12 A:Z20402 4.4 30.8 0.8
C6 A:Z20402 4.5 30.0 0.8
N9 A:Z20402 4.8 30.4 0.8
CB A:LYS67 4.8 28.1 1.0
CB A:PHE49 4.9 75.9 1.0
CG2 A:VAL52 4.9 38.0 1.0
O A:GLY45 4.9 40.6 1.0
CA A:PHE49 4.9 76.3 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 13:07:44 2024

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