Chlorine in PDB 5e8r: Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae)

All present enzymatic activity of Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae):
2.1.1.125;

The structure of Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae), PDB code: 5e8r was solved by A.Dong, H.Zeng, J.Liu, W.Tempel, A.Seitova, A.Hutchinson, C.Bountra, C.H.Arrowsmith, A.M.Edwards, J.Jin, P.J.Brown, H.Wu, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.55
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	100.244, 100.244, 89.868, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 25.6

The binding sites of Chlorine atom in the Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae) (pdb code 5e8r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae), PDB code: 5e8r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:31.6 occ:1.00 OG1 A:THR295 2.8 23.5 1.0 OG A:SER188 3.0 25.0 1.0 C A:SER188 3.6 23.8 1.0 O A:SER188 3.6 23.5 1.0 N A:ALA189 3.6 23.1 1.0 CB A:THR295 3.7 23.5 1.0 N A:THR295 3.7 22.2 1.0 CA A:ALA189 3.7 22.5 1.0 CB A:SER188 3.8 24.8 1.0 CG A:GLU190 3.9 24.7 1.0 C A:ALA189 3.9 22.3 1.0 N A:GLU190 3.9 22.4 1.0 C A:VAL294 4.0 21.2 1.0 NE2 A:GLN293 4.0 20.0 1.0 CG A:GLN293 4.0 19.7 1.0 CA A:VAL294 4.0 20.9 1.0 O A:GLN293 4.0 20.9 1.0 OE1 A:GLU190 4.3 27.0 1.0 CA A:THR295 4.3 23.3 1.0 CD A:GLU190 4.3 25.9 1.0 CA A:SER188 4.3 24.6 1.0 C A:GLN293 4.4 20.4 1.0 CD A:GLN293 4.5 19.9 1.0 CB A:GLU190 4.5 23.3 1.0 N A:VAL294 4.5 20.6 1.0 O A:ALA189 4.6 22.2 1.0 O A:VAL294 4.7 20.4 1.0 CA A:GLU190 4.8 22.4 1.0 CG2 A:THR295 5.0 23.4 1.0

Chlorine binding site 2 out of 5 in the Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1003 b:24.3 occ:1.00 OG1 B:THR295 2.7 17.1 1.0 OG B:SER188 3.2 16.9 1.0 NE2 B:GLN293 3.5 11.7 1.0 N B:THR295 3.6 14.8 1.0 CB B:THR295 3.6 16.4 1.0 N B:ALA189 3.7 15.4 1.0 C B:SER188 3.7 16.0 1.0 O B:SER188 3.7 15.8 1.0 CA B:ALA189 3.7 15.2 1.0 CG B:GLU190 3.8 16.0 1.0 C B:ALA189 3.8 14.8 1.0 N B:GLU190 3.9 14.2 1.0 CG B:GLN293 3.9 11.6 1.0 C B:VAL294 4.0 13.8 1.0 CA B:VAL294 4.0 13.0 1.0 CB B:SER188 4.0 16.6 1.0 O B:GLN293 4.1 11.9 1.0 CD B:GLU190 4.1 17.3 1.0 CA B:THR295 4.2 16.0 1.0 CD B:GLN293 4.2 11.7 1.0 C B:GLN293 4.3 11.9 1.0 N B:VAL294 4.4 12.5 1.0 O B:ALA189 4.4 14.9 1.0 CB B:GLU190 4.4 15.1 1.0 OE1 B:GLU190 4.5 18.2 1.0 CA B:SER188 4.5 16.6 1.0 OE2 B:GLU190 4.5 18.3 1.0 O B:VAL294 4.8 14.0 1.0 CA B:GLU190 4.8 14.1 1.0 CG2 B:THR295 4.9 16.5 1.0 CB B:GLN293 5.0 11.5 1.0

Chlorine binding site 3 out of 5 in the Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1004 b:41.2 occ:1.00 OG B:SER52 2.8 26.1 1.0 N B:ALA115 3.3 15.1 1.0 CA B:SER114 3.6 15.5 1.0 CB B:SER114 3.8 15.7 1.0 C B:SER114 3.9 15.3 1.0 O B:TYR48 3.9 33.6 1.0 CB B:ALA115 4.0 14.9 1.0 CB B:TYR48 4.1 31.0 1.0 C B:TYR48 4.1 32.5 1.0 CB B:SER52 4.2 25.4 1.0 CA B:ALA115 4.2 14.9 1.0 N B:GLU49 4.4 32.5 1.0 CA B:GLU49 4.6 32.9 1.0 O B:ALA113 4.8 16.2 1.0 CA B:TYR48 4.8 32.1 1.0 N B:SER114 4.9 15.6 1.0 O B:SER114 5.0 15.6 1.0 OG B:SER114 5.0 15.9 1.0

Chlorine binding site 4 out of 5 in the Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1005 b:41.4 occ:1.00 N B:VAL135 3.2 20.4 1.0 O B:VAL133 3.7 21.5 1.0 CA B:HIS134 3.7 22.7 1.0 CG B:ARG121 3.8 17.5 1.0 CG2 B:VAL135 3.9 20.2 1.0 C B:HIS134 3.9 21.5 1.0 CB B:VAL135 4.1 20.1 1.0 CD B:ARG121 4.1 17.5 1.0 CA B:VAL135 4.2 20.3 1.0 CB B:ARG121 4.4 17.3 1.0 C B:VAL133 4.5 22.1 1.0 N B:HIS134 4.5 22.3 1.0 O B:VAL135 4.5 20.4 1.0 CG1 B:VAL124 4.6 19.7 1.0 CA B:ARG121 4.6 17.2 1.0 CB B:HIS134 4.7 24.4 1.0 C B:VAL135 4.9 20.4 1.0 CB B:VAL124 4.9 19.8 1.0

Chlorine binding site 5 out of 5 in the Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Human HMT1 Hnrnp Methyltransferase-Like Protein 6 (S. Cerevisiae) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1006 b:42.1 occ:1.00 OH B:TYR359 2.8 20.8 1.0 N B:ASN326 3.3 20.6 1.0 CZ B:TYR359 3.7 19.9 1.0 CE1 B:TYR359 3.7 19.7 1.0 CA B:LEU325 3.8 19.3 1.0 ND2 B:ASN326 3.8 21.0 1.0 CB B:LEU325 3.9 19.7 1.0 CG B:ASN326 3.9 20.8 1.0 C B:LEU325 4.0 19.9 1.0 CB B:ASN326 4.1 21.0 1.0 CD B:LYS369 4.2 19.9 1.0 CA B:ASN326 4.3 21.3 1.0 CD2 B:LEU325 4.4 20.0 1.0 OD1 B:ASN326 4.5 21.2 1.0 CB B:LYS369 4.6 19.9 1.0 O B:THR368 4.6 21.7 1.0 CG B:LEU325 4.7 19.8 1.0 CB B:LYS367 4.9 24.3 1.0 CE2 B:TYR359 5.0 19.7 1.0 CG B:LYS369 5.0 19.6 1.0

M.S.Eram, Y.Shen, M.M.Szewczyk, H.Wu, G.Senisterra, F.Li, K.V.Butler, H.U.Kaniskan, B.A.Speed, C.Dela Sena, A.Dong, H.Zeng, M.Schapira, P.J.Brown, C.H.Arrowsmith, D.Barsyte-Lovejoy, J.Liu, M.Vedadi, J.Jin. A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. Acs Chem.Biol. V. 11 772 2016.
ISSN: ESSN 1554-8937
PubMed: 26598975
DOI: 10.1021/ACSCHEMBIO.5B00839