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Chlorine in PDB 3zze: Crystal Structure of C-Met Kinase Domain in Complex with N'-((3Z)-4- Chloro-7-Methyl-2-Oxo-1,2-Dihydro-3H-Indol-3-Ylidene)-2-(4- Hydroxyphenyl)Propanohydrazide

Enzymatic activity of Crystal Structure of C-Met Kinase Domain in Complex with N'-((3Z)-4- Chloro-7-Methyl-2-Oxo-1,2-Dihydro-3H-Indol-3-Ylidene)-2-(4- Hydroxyphenyl)Propanohydrazide

All present enzymatic activity of Crystal Structure of C-Met Kinase Domain in Complex with N'-((3Z)-4- Chloro-7-Methyl-2-Oxo-1,2-Dihydro-3H-Indol-3-Ylidene)-2-(4- Hydroxyphenyl)Propanohydrazide:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of C-Met Kinase Domain in Complex with N'-((3Z)-4- Chloro-7-Methyl-2-Oxo-1,2-Dihydro-3H-Indol-3-Ylidene)-2-(4- Hydroxyphenyl)Propanohydrazide, PDB code: 3zze was solved by M.Mctigue, Y.Deng, K.Ryan, J.J.Cui, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.19 / 1.87
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.864, 94.373, 45.766, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 22.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of C-Met Kinase Domain in Complex with N'-((3Z)-4- Chloro-7-Methyl-2-Oxo-1,2-Dihydro-3H-Indol-3-Ylidene)-2-(4- Hydroxyphenyl)Propanohydrazide (pdb code 3zze). 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 C-Met Kinase Domain in Complex with N'-((3Z)-4- Chloro-7-Methyl-2-Oxo-1,2-Dihydro-3H-Indol-3-Ylidene)-2-(4- Hydroxyphenyl)Propanohydrazide, PDB code: 3zze:

Chlorine binding site 1 out of 1 in 3zze

Go back to Chlorine Binding Sites List in 3zze
Chlorine binding site 1 out of 1 in the Crystal Structure of C-Met Kinase Domain in Complex with N'-((3Z)-4- Chloro-7-Methyl-2-Oxo-1,2-Dihydro-3H-Indol-3-Ylidene)-2-(4- Hydroxyphenyl)Propanohydrazide


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 C-Met Kinase Domain in Complex with N'-((3Z)-4- Chloro-7-Methyl-2-Oxo-1,2-Dihydro-3H-Indol-3-Ylidene)-2-(4- Hydroxyphenyl)Propanohydrazide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2345

b:20.5
occ:1.00
 CL2 A:6XP2345 0.0 20.5 1.0
C10 A:6XP2345 1.7 17.0 1.0
C7 A:6XP2345 2.7 17.6 1.0
C11 A:6XP2345 2.8 17.5 1.0
C15 A:6XP2345 3.4 17.9 1.0
N17 A:6XP2345 3.4 14.9 1.0
CA A:GLY1085 3.5 25.0 1.0
C6 A:6XP2345 3.7 17.1 1.0
CG2 A:VAL1092 3.7 20.6 1.0
CD1 A:TYR1230 3.8 18.8 1.0
CE1 A:TYR1230 4.0 18.4 1.0
N A:GLY1085 4.0 23.8 1.0
C8 A:6XP2345 4.1 19.5 1.0
CB A:VAL1092 4.1 20.6 1.0
C A:GLY1085 4.1 26.0 1.0
C12 A:6XP2345 4.2 17.0 1.0
CG2 A:ILE1084 4.4 22.3 1.0
C5 A:6XP2345 4.4 19.0 1.0
C A:ILE1084 4.5 24.6 1.0
CG A:TYR1230 4.5 19.3 1.0
N A:ARG1086 4.6 27.2 1.0
O A:ILE1084 4.6 24.6 1.0
O A:GLY1085 4.7 23.4 1.0
C9 A:6XP2345 4.7 18.9 1.0
C1 A:6XP2345 4.7 16.1 1.0
CG1 A:VAL1092 4.8 19.4 1.0
C20 A:6XP2345 4.8 16.8 1.0
N18 A:6XP2345 4.8 17.5 1.0
CZ A:TYR1230 4.8 20.3 1.0
C14 A:6XP2345 4.8 18.0 1.0
O A:HOH2053 5.0 35.1 1.0

Reference:

J.J.Cui, M.Mctigue, M.Nambu, M.Tran-Dube, M.Pairish, H.Shen, L.Jia, H.Cheng, J.Hoffman, P.Le, M.Jalaie, G.H.Goetz, K.Ryan, N.Grodsky, Y.Deng, M.Parker, S.Timofeevski, B.W.Murray, S.Yamazaki, S.Aguirre, Q.Li, H.Zou, J.Christensen. Discovery of A Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-Met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) For the Treatment of Cancer. J.Med.Chem. V. 55 8091 2012.
ISSN: ISSN 0022-2623
PubMed: 22924734
DOI: 10.1021/JM300967G
Page generated: Sun Jul 21 08:40:10 2024

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