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Chlorine in PDB 7kce: Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 2

Enzymatic activity of Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 2

All present enzymatic activity of Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 2:
2.5.1.6;

Protein crystallography data

The structure of Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 2, PDB code: 7kce was solved by A.Padyana, L.Jin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.37 / 1.14
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 67.97, 94.24, 116.81, 90, 90, 90
R / Rfree (%) 14.4 / 15.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 2 (pdb code 7kce). 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 Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 2, PDB code: 7kce:

Chlorine binding site 1 out of 1 in 7kce

Go back to Chlorine Binding Sites List in 7kce
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 2


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 Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:10.1
occ:1.00
 HE2 A:HIS29 2.3 9.9 1.0
HZ1 A:LYS265 2.4 12.0 1.0
HZ2 A:LYS181 2.4 9.7 1.0
O A:HOH516 2.9 39.8 1.0
H5'1 A:SAM402 3.0 11.8 1.0
H4' A:SAM402 3.1 9.0 1.0
NE2 A:HIS29 3.1 8.2 1.0
NZ A:LYS181 3.2 8.1 1.0
O A:HOH822 3.2 22.8 1.0
HZ1 A:LYS181 3.2 9.7 1.0
NZ A:LYS265 3.2 10.0 1.0
HE1 A:HIS29 3.3 10.1 1.0
H5'2 A:SAM402 3.3 11.8 1.0
HE2 A:LYS265 3.5 12.4 1.0
O A:HOH959 3.5 27.6 1.0
C5' A:SAM402 3.5 9.8 1.0
HE3 A:LYS265 3.5 12.4 1.0
CE1 A:HIS29 3.6 8.4 1.0
HE3 A:LYS181 3.7 9.2 1.0
CE A:LYS265 3.7 10.3 1.0
HZ3 A:LYS265 3.7 12.0 1.0
C4' A:SAM402 3.7 7.5 1.0
HZ2 A:LYS265 3.7 12.0 1.0
HZ3 A:LYS181 3.8 9.7 1.0
O A:HOH535 3.9 25.7 1.0
HD2 A:LYS181 3.9 9.6 1.0
CE A:LYS181 3.9 7.7 1.0
OD2 A:ASP258 4.1 12.4 1.0
OD2 A:ASP31 4.1 9.6 1.0
O A:HOH615 4.1 16.4 1.0
O3' A:SAM402 4.2 8.8 1.0
HO3' A:SAM402 4.3 10.6 1.0
CD2 A:HIS29 4.3 8.1 1.0
CD A:LYS181 4.5 8.0 1.0
C3' A:SAM402 4.6 7.3 1.0
O A:HOH566 4.6 9.1 1.0
HD2 A:HIS29 4.6 9.8 1.0
O A:HOH634 4.8 26.1 1.0
HE2 A:LYS181 4.8 9.2 1.0
HG1 A:SAM402 4.8 13.8 1.0
HG11 A:VAL25 4.8 8.7 1.0
ND1 A:HIS29 4.9 8.6 1.0
HG2 A:SAM402 4.9 13.8 1.0
O4' A:SAM402 4.9 7.9 1.0
HD3 A:LYS181 5.0 9.6 1.0

Reference:

Z.Konteatis, J.Travins, S.Gross, K.Marjon, A.Barnett, E.Mandley, B.Nicolay, R.Nagaraja, Y.Chen, Y.Sun, Z.Liu, J.Yu, Z.Ye, F.Jiang, W.Wei, C.Fang, Y.Gao, P.Kalev, M.L.Hyer, B.Delabarre, L.Jin, A.K.Padyana, L.Dang, J.Murtie, S.A.Biller, Z.Sui, K.M.Marks. Discovery of Ag-270, A First-in-Class Oral MAT2A Inhibitor For the Treatment of Tumors with Homozygous Mtap Deletion. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 33829783
DOI: 10.1021/ACS.JMEDCHEM.0C01895
Page generated: Mon Jul 29 23:30:50 2024

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