Iodine in PDB 4lwp: Crystal Structure of PRMT6-Sah

The structure of Crystal Structure of PRMT6-Sah, PDB code: 4lwp was solved by Y.Zhu, C.Wang, Y.Shi, M.Teng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.60 / 2.35
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	101.428, 108.465, 137.865, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 24.9

The binding sites of Iodine atom in the Crystal Structure of PRMT6-Sah (pdb code 4lwp). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the Crystal Structure of PRMT6-Sah, PDB code: 4lwp:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in the Crystal Structure of PRMT6-Sah


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of PRMT6-Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:I401 b:25.8 occ:1.00 OG B:SER302 3.3 21.1 1.0 OG1 B:THR185 3.4 22.5 1.0 O B:ASP300 3.9 19.0 1.0 CG B:ARG183 3.9 24.1 1.0 CB B:SER302 3.9 20.3 1.0 N B:THR185 3.9 18.5 1.0 CB B:ASP300 4.0 18.7 1.0 N B:SER302 4.0 19.4 1.0 C B:VAL301 4.0 19.6 1.0 C B:ASP300 4.0 18.6 1.0 O B:ARG183 4.1 18.5 1.0 CA B:VAL301 4.1 18.0 1.0 CB B:THR185 4.1 19.0 1.0 CA B:ALA184 4.2 19.7 1.0 C B:ALA184 4.2 20.7 1.0 C B:ARG183 4.2 20.7 1.0 N B:ALA184 4.3 20.7 1.0 N B:VAL301 4.3 17.6 1.0 CB B:ARG183 4.5 20.8 1.0 O B:VAL301 4.6 20.3 1.0 CA B:SER302 4.6 21.2 1.0 CD B:ARG183 4.7 27.4 1.0 CA B:THR185 4.7 19.3 1.0 CA B:ASP300 4.7 17.7 1.0 O B:ALA184 4.9 21.4 1.0

Iodine binding site 2 out of 9 in the Crystal Structure of PRMT6-Sah


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of PRMT6-Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:I402 b:29.6 occ:1.00 N B:ASN251 3.7 21.1 1.0 OG1 B:THR254 3.7 23.1 1.0 CA B:VAL255 3.9 19.2 1.0 CB B:VAL255 3.9 20.9 1.0 O B:ASN251 4.1 21.8 1.0 N B:VAL255 4.1 19.9 1.0 CG2 B:VAL255 4.2 19.4 1.0 CA B:LEU250 4.4 18.3 1.0 CB B:ASN251 4.4 21.7 1.0 CA B:ASN251 4.5 21.5 1.0 CD2 B:LEU250 4.5 20.6 1.0 C B:LEU250 4.5 21.1 1.0 O B:GLU249 4.6 18.1 1.0 C B:THR254 4.6 19.5 1.0 C B:ASN251 4.7 21.3 1.0 CB B:LEU250 4.9 20.3 1.0 CB B:THR254 5.0 22.5 1.0 O B:THR254 5.0 20.1 1.0

Iodine binding site 3 out of 9 in the Crystal Structure of PRMT6-Sah


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of PRMT6-Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:I403 b:24.5 occ:0.43 N B:LEU238 3.8 23.9 1.0 CB B:LEU238 4.1 25.5 1.0 CA B:LEU238 4.1 24.6 1.0 CB B:PRO237 4.2 26.7 1.0 C B:PRO237 4.4 24.1 1.0 CD1 B:LEU238 4.7 22.9 1.0 CG B:PRO237 4.8 25.0 1.0 CA B:PRO237 4.9 22.8 1.0 CG B:LEU238 5.0 27.2 1.0

Iodine binding site 4 out of 9 in the Crystal Structure of PRMT6-Sah


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of PRMT6-Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:I404 b:52.6 occ:1.00 NE2 B:HIS127 3.5 27.3 1.0 NE B:ARG126 3.5 38.7 1.0 CG2 B:ILE115 4.2 21.0 1.0 CG B:LEU108 4.2 26.5 1.0 CD1 B:PHE123 4.3 24.0 1.0 CE1 B:HIS127 4.3 28.7 1.0 CD2 B:HIS127 4.4 28.4 1.0 CE1 B:PHE123 4.5 24.5 1.0 CG1 B:ILE115 4.5 23.2 1.0 CD2 B:LEU108 4.8 25.2 1.0 CD1 B:LEU108 4.8 26.8 1.0 O B:HOH531 4.9 21.9 1.0 CB B:ILE115 4.9 23.7 1.0 CD B:ARG126 5.0 38.3 1.0

Iodine binding site 5 out of 9 in the Crystal Structure of PRMT6-Sah


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of PRMT6-Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:I405 b:0.9 occ:1.00 NE2 B:HIS318 3.2 24.1 1.0 CD2 B:HIS318 3.9 23.0 1.0 O B:MET144 4.0 16.8 1.0 NE1 B:TRP319 4.1 19.1 1.0 CE1 B:HIS318 4.4 23.2 1.0 SD B:MET33 4.4 38.1 1.0 CE2 B:TRP319 4.6 21.2 1.0 CD1 B:TRP319 4.8 20.0 1.0 CZ2 B:TRP319 4.9 20.9 1.0 CG B:MET33 5.0 25.0 1.0

Iodine binding site 6 out of 9 in the Crystal Structure of PRMT6-Sah


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of PRMT6-Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:I406 b:77.1 occ:1.00 CA B:PRO195 3.8 30.4 1.0 CB B:PRO195 4.0 27.9 1.0 CB B:VAL198 4.1 32.6 1.0 CG1 B:VAL198 4.1 33.4 1.0 CD2 B:LEU238 4.2 26.9 1.0 CG B:PRO195 4.3 26.2 1.0 CG2 B:VAL198 4.3 30.9 1.0 N B:PRO195 4.4 29.8 1.0 O B:LYS194 4.8 30.3 1.0 C B:LYS194 4.9 30.4 1.0 C B:PRO195 4.9 30.8 1.0 O B:PRO195 5.0 29.7 1.0 CD B:PRO195 5.0 27.8 1.0

Iodine binding site 7 out of 9 in the Crystal Structure of PRMT6-Sah


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of PRMT6-Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:I402 b:35.2 occ:1.00 OG A:SER302 3.1 23.7 1.0 OG1 A:THR185 3.4 25.0 1.0 O A:ASP300 3.8 22.2 1.0 CB A:SER302 3.9 25.4 1.0 N A:THR185 4.0 23.8 1.0 N A:SER302 4.0 23.2 1.0 CB A:THR185 4.1 23.6 1.0 C A:VAL301 4.1 24.8 1.0 C A:ASP300 4.1 23.6 1.0 O A:ARG183 4.1 22.7 1.0 CA A:VAL301 4.1 23.2 1.0 CB A:ASP300 4.2 23.8 1.0 C A:ARG183 4.2 24.4 1.0 C A:ALA184 4.2 23.6 1.0 CA A:ALA184 4.2 23.5 1.0 CB A:ARG183 4.2 24.5 1.0 N A:ALA184 4.3 24.0 1.0 N A:VAL301 4.4 21.6 1.0 CA A:SER302 4.6 25.9 1.0 O A:VAL301 4.7 26.5 1.0 CA A:THR185 4.7 22.9 1.0 CA A:ASP300 4.8 23.0 1.0 CA A:ARG183 4.9 24.3 1.0 O A:ALA184 5.0 23.4 1.0

Iodine binding site 8 out of 9 in the Crystal Structure of PRMT6-Sah


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of PRMT6-Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:I403 b:38.6 occ:1.00 N A:ASN251 3.7 23.6 1.0 CA A:VAL255 3.9 23.5 1.0 OG1 A:THR254 4.0 27.4 1.0 CB A:VAL255 4.0 24.0 1.0 N A:VAL255 4.1 24.8 1.0 O A:ASN251 4.2 24.4 1.0 CA A:LEU250 4.4 23.6 1.0 CG2 A:VAL255 4.4 24.9 1.0 CB A:ASN251 4.5 23.4 1.0 CA A:ASN251 4.5 25.4 1.0 C A:LEU250 4.6 24.9 1.0 C A:THR254 4.6 23.7 1.0 CD2 A:LEU250 4.6 23.8 1.0 O A:GLU249 4.7 23.0 1.0 C A:ASN251 4.8 23.6 1.0 O A:THR254 4.8 24.5 1.0 O A:HOH521 5.0 26.6 1.0

Iodine binding site 9 out of 9 in the Crystal Structure of PRMT6-Sah


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of PRMT6-Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:I404 b:69.7 occ:1.00 NE2 A:HIS127 3.4 28.4 1.0 CD2 A:LEU108 3.9 23.4 1.0 CD2 A:PHE123 4.2 25.6 1.0 CD A:ARG126 4.3 34.9 1.0 CE2 A:PHE123 4.3 26.3 1.0 CD2 A:HIS127 4.3 26.8 1.0 CE1 A:HIS127 4.3 27.7 1.0 CD1 A:LEU108 4.4 24.8 1.0 CG2 A:ILE115 4.4 23.0 1.0 CG A:LEU108 4.7 24.1 1.0 CG1 A:ILE115 4.7 23.2 1.0

C.Wang, Y.Zhu, J.Chen, X.Li, J.Peng, J.Chen, Y.Zou, Z.Zhang, H.Jin, P.Yang, J.Wu, L.Niu, Q.Gong, M.Teng, Y.Shi. Crystal Structure of Arginine Methyltransferase 6 From Trypanosoma Brucei Plos One V. 9 87267 2014.
ISSN: ESSN 1932-6203
PubMed: 24498306
DOI: 10.1371/JOURNAL.PONE.0087267