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Chlorine in PDB 4ikr: Crystal Structure of Type 1 Human Methionine Aminopeptidase in Complex with 2-(4-(5-Chloro-6-Methyl-2-(Pyridin-2-Yl)Pyrimidin-4-Yl) Piperazin-1-Yl)Ethanol

Enzymatic activity of Crystal Structure of Type 1 Human Methionine Aminopeptidase in Complex with 2-(4-(5-Chloro-6-Methyl-2-(Pyridin-2-Yl)Pyrimidin-4-Yl) Piperazin-1-Yl)Ethanol

All present enzymatic activity of Crystal Structure of Type 1 Human Methionine Aminopeptidase in Complex with 2-(4-(5-Chloro-6-Methyl-2-(Pyridin-2-Yl)Pyrimidin-4-Yl) Piperazin-1-Yl)Ethanol:
3.4.11.18;

Protein crystallography data

The structure of Crystal Structure of Type 1 Human Methionine Aminopeptidase in Complex with 2-(4-(5-Chloro-6-Methyl-2-(Pyridin-2-Yl)Pyrimidin-4-Yl) Piperazin-1-Yl)Ethanol, PDB code: 4ikr was solved by A.Addlagatta, C.Kishor, T.Arya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.39 / 1.78
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.345, 77.423, 48.023, 90.00, 91.03, 90.00
R / Rfree (%) 18 / 21.1

Other elements in 4ikr:

The structure of Crystal Structure of Type 1 Human Methionine Aminopeptidase in Complex with 2-(4-(5-Chloro-6-Methyl-2-(Pyridin-2-Yl)Pyrimidin-4-Yl) Piperazin-1-Yl)Ethanol also contains other interesting chemical elements:

Cobalt (Co) 3 atoms
Potassium (K) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Type 1 Human Methionine Aminopeptidase in Complex with 2-(4-(5-Chloro-6-Methyl-2-(Pyridin-2-Yl)Pyrimidin-4-Yl) Piperazin-1-Yl)Ethanol (pdb code 4ikr). 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 Type 1 Human Methionine Aminopeptidase in Complex with 2-(4-(5-Chloro-6-Methyl-2-(Pyridin-2-Yl)Pyrimidin-4-Yl) Piperazin-1-Yl)Ethanol, PDB code: 4ikr:

Chlorine binding site 1 out of 1 in 4ikr

Go back to Chlorine Binding Sites List in 4ikr
Chlorine binding site 1 out of 1 in the Crystal Structure of Type 1 Human Methionine Aminopeptidase in Complex with 2-(4-(5-Chloro-6-Methyl-2-(Pyridin-2-Yl)Pyrimidin-4-Yl) Piperazin-1-Yl)Ethanol


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 Type 1 Human Methionine Aminopeptidase in Complex with 2-(4-(5-Chloro-6-Methyl-2-(Pyridin-2-Yl)Pyrimidin-4-Yl) Piperazin-1-Yl)Ethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:27.0
occ:1.00
 CL A:PVP404 0.0 27.0 1.0
C8 A:PVP404 1.8 23.3 1.0
C9 A:PVP404 2.7 21.1 1.0
C7 A:PVP404 2.8 23.6 1.0
C16 A:PVP404 3.1 20.0 1.0
C10 A:PVP404 3.1 29.6 1.0
N4 A:PVP404 3.2 27.2 1.0
O A:HOH557 3.2 22.8 1.0
O A:HOH547 3.7 20.3 1.0
C11 A:PVP404 3.7 32.5 1.0
O A:HOH615 3.7 34.2 1.0
N3 A:PVP404 3.9 16.7 1.0
CD2 A:HIS310 4.0 17.4 1.0
N2 A:PVP404 4.0 21.1 1.0
CG A:HIS310 4.0 17.9 1.0
O A:HOH630 4.1 22.7 1.0
CB A:HIS310 4.3 18.3 1.0
O A:HOH640 4.4 29.1 1.0
C6 A:PVP404 4.4 17.7 1.0
NE2 A:HIS310 4.5 15.6 1.0
ND1 A:HIS310 4.6 15.0 1.0
C13 A:PVP404 4.6 26.9 1.0
CE1 A:HIS310 4.8 16.7 1.0
N5 A:PVP404 5.0 33.6 1.0

Reference:

C.Kishor, T.Arya, R.Reddi, X.Chen, V.Saddanapu, A.K.Marapaka, R.Gumpena, D.Ma, J.O.Liu, A.Addlagatta. Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors Against Type I Methionine Aminopeptidases J.Med.Chem. V. 56 5295 2013.
ISSN: ISSN 0022-2623
PubMed: 23767698
DOI: 10.1021/JM400395P
Page generated: Sat Dec 12 10:46:06 2020

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