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Potassium in PDB 4iks: Crystal Structure of Truncated (Delta 1-89) Human Methionine Aminopeptidase Type 1 in Complex with N1-(5-Chloro-6-Methyl-2- (Pyridin-2-Yl)Pyrimidin-4-Yl)-N2-(6-(Trifluoromethyl)Pyridin-2-Yl) Ethane-1,2-Diamine

Enzymatic activity of Crystal Structure of Truncated (Delta 1-89) Human Methionine Aminopeptidase Type 1 in Complex with N1-(5-Chloro-6-Methyl-2- (Pyridin-2-Yl)Pyrimidin-4-Yl)-N2-(6-(Trifluoromethyl)Pyridin-2-Yl) Ethane-1,2-Diamine

All present enzymatic activity of Crystal Structure of Truncated (Delta 1-89) Human Methionine Aminopeptidase Type 1 in Complex with N1-(5-Chloro-6-Methyl-2- (Pyridin-2-Yl)Pyrimidin-4-Yl)-N2-(6-(Trifluoromethyl)Pyridin-2-Yl) Ethane-1,2-Diamine:
3.4.11.18;

Protein crystallography data

The structure of Crystal Structure of Truncated (Delta 1-89) Human Methionine Aminopeptidase Type 1 in Complex with N1-(5-Chloro-6-Methyl-2- (Pyridin-2-Yl)Pyrimidin-4-Yl)-N2-(6-(Trifluoromethyl)Pyridin-2-Yl) Ethane-1,2-Diamine, PDB code: 4iks 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) 47.19 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.219, 77.332, 47.153, 90.00, 92.36, 90.00
R / Rfree (%) 18.4 / 21.6

Other elements in 4iks:

The structure of Crystal Structure of Truncated (Delta 1-89) Human Methionine Aminopeptidase Type 1 in Complex with N1-(5-Chloro-6-Methyl-2- (Pyridin-2-Yl)Pyrimidin-4-Yl)-N2-(6-(Trifluoromethyl)Pyridin-2-Yl) Ethane-1,2-Diamine also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Cobalt (Co) 3 atoms
Chlorine (Cl) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Truncated (Delta 1-89) Human Methionine Aminopeptidase Type 1 in Complex with N1-(5-Chloro-6-Methyl-2- (Pyridin-2-Yl)Pyrimidin-4-Yl)-N2-(6-(Trifluoromethyl)Pyridin-2-Yl) Ethane-1,2-Diamine (pdb code 4iks). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Crystal Structure of Truncated (Delta 1-89) Human Methionine Aminopeptidase Type 1 in Complex with N1-(5-Chloro-6-Methyl-2- (Pyridin-2-Yl)Pyrimidin-4-Yl)-N2-(6-(Trifluoromethyl)Pyridin-2-Yl) Ethane-1,2-Diamine, PDB code: 4iks:

Potassium binding site 1 out of 1 in 4iks

Go back to Potassium Binding Sites List in 4iks
Potassium binding site 1 out of 1 in the Crystal Structure of Truncated (Delta 1-89) Human Methionine Aminopeptidase Type 1 in Complex with N1-(5-Chloro-6-Methyl-2- (Pyridin-2-Yl)Pyrimidin-4-Yl)-N2-(6-(Trifluoromethyl)Pyridin-2-Yl) Ethane-1,2-Diamine


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Truncated (Delta 1-89) Human Methionine Aminopeptidase Type 1 in Complex with N1-(5-Chloro-6-Methyl-2- (Pyridin-2-Yl)Pyrimidin-4-Yl)-N2-(6-(Trifluoromethyl)Pyridin-2-Yl) Ethane-1,2-Diamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K405

b:14.6
occ:1.00
 O A:VAL209 2.6 12.0 1.0
O A:SER363 2.6 13.9 1.0
O A:ASN207 2.8 14.8 1.0
O A:HOH522 2.8 13.1 1.0
O A:SER205 2.9 12.6 1.0
N A:ASN207 3.6 14.4 1.0
C A:ASN207 3.7 14.2 1.0
C A:SER363 3.7 13.7 1.0
C A:SER205 3.7 12.0 1.0
C A:VAL209 3.7 12.0 1.0
C A:VAL206 3.8 14.4 1.0
CA A:ASN207 4.0 14.6 1.0
O A:VAL206 4.1 13.3 1.0
CB A:SER205 4.2 12.8 1.0
N A:VAL209 4.3 12.8 1.0
N A:VAL206 4.3 13.6 1.0
CA A:VAL206 4.3 14.3 1.0
O A:HOH516 4.4 11.3 1.0
N A:SER363 4.4 15.9 1.0
CA A:SER363 4.5 14.7 1.0
CA A:VAL209 4.5 12.1 1.0
CA A:SER205 4.6 11.6 1.0
CB A:SER363 4.6 14.8 1.0
N A:ALA364 4.6 13.5 1.0
CG1 A:ILE225 4.7 16.0 1.0
CA A:ALA364 4.7 13.4 1.0
N A:GLU208 4.7 13.7 1.0
CD1 A:ILE225 4.8 14.7 1.0
N A:ILE210 4.8 12.4 1.0
O A:ILE225 4.8 17.4 1.0
CB A:VAL209 4.8 11.4 1.0
N A:ASN227 4.9 12.4 1.0
C A:GLU208 4.9 13.0 1.0
O A:HOH510 4.9 12.5 1.0
CA A:ILE210 5.0 12.8 1.0
CB A:ASN227 5.0 11.1 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: Mon Aug 12 11:01:41 2024

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