Chlorine in PDB 7kda: Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 34

Enzymatic activity of Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 34

All present enzymatic activity of Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Compound 34:
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 34, PDB code: 7kda 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) 30.27 / 1.24
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 68.124, 94.028, 116.891, 90, 90, 90
R / Rfree (%) 12.7 / 13.9

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 34 (pdb code 7kda). 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 34, PDB code: 7kda:

Chlorine binding site 1 out of 1 in 7kda

Go back to Chlorine Binding Sites List in 7kda
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 34


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 34 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:12.2
occ:1.00
 HE2 A:HIS29 2.3 9.5 1.0
HZ2 A:LYS181 2.4 11.8 1.0
HZ1 A:LYS265 2.4 15.1 1.0
H4' A:SAM501 2.9 11.1 1.0
NE2 A:HIS29 3.1 7.9 1.0
NZ A:LYS181 3.1 9.8 1.0
HZ1 A:LYS181 3.2 11.8 1.0
NZ A:LYS265 3.2 12.6 1.0
HE1 A:HIS29 3.4 9.6 1.0
HE3 A:LYS265 3.5 13.1 1.0
HE2 A:LYS265 3.5 13.1 1.0
CE1 A:HIS29 3.6 8.0 1.0
CE A:LYS265 3.6 10.9 1.0
HE3 A:LYS181 3.6 10.0 1.0
C5' A:SAM501 3.7 11.2 1.0
HZ3 A:LYS265 3.7 15.1 1.0
HZ2 A:LYS265 3.7 15.1 1.0
HZ3 A:LYS181 3.8 11.8 1.0
C4' A:SAM501 3.8 9.3 1.0
HD2 A:LYS181 3.9 10.2 1.0
CE A:LYS181 3.9 8.3 1.0
O A:HOH735 4.2 18.9 1.0
OD2 A:ASP31 4.2 9.7 1.0
OD2 A:ASP258 4.2 13.7 1.0
O3' A:SAM501 4.2 9.4 1.0
CD2 A:HIS29 4.3 8.0 1.0
HO3' A:SAM501 4.4 11.3 1.0
CD A:LYS181 4.5 8.5 1.0
O A:HOH674 4.5 10.9 1.0
HD2 A:HIS29 4.6 9.6 1.0
C3' A:SAM501 4.6 8.0 1.0
HE2 A:LYS181 4.8 10.0 1.0
HG11 A:VAL25 4.8 9.1 1.0
HG1 A:SAM501 4.9 19.1 1.0
ND1 A:HIS29 4.9 8.4 1.0
O4' A:SAM501 4.9 8.1 1.0
HG2 A:SAM501 4.9 19.1 1.0
HD3 A:LYS181 5.0 10.2 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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