6MBO
GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0002039 | molecular_function | p53 binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0016279 | molecular_function | protein-lysine N-methyltransferase activity |
| A | 0042054 | molecular_function | histone methyltransferase activity |
| B | 0002039 | molecular_function | p53 binding |
| B | 0005634 | cellular_component | nucleus |
| B | 0008270 | molecular_function | zinc ion binding |
| B | 0016279 | molecular_function | protein-lysine N-methyltransferase activity |
| B | 0042054 | molecular_function | histone methyltransferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue JDG A 1301 |
| Chain | Residue |
| A | THR1026 |
| A | TYR1030 |
| B | SER1040 |
| B | GLN1046 |
| B | PHE1160 |
| B | TYR1161 |
| site_id | AC2 |
| Number of Residues | 19 |
| Details | binding site for residue JDG A 1302 |
| Chain | Residue |
| A | ARG1137 |
| A | ASP1140 |
| A | SER1141 |
| A | LEU1143 |
| A | ASP1145 |
| A | VAL1153 |
| A | TYR1154 |
| A | PHE1209 |
| A | TYR1211 |
| A | ARG1214 |
| A | PHE1215 |
| A | ILE1218 |
| A | LYS1219 |
| A | HOH1417 |
| A | HOH1497 |
| A | HOH1583 |
| A | TYR1124 |
| A | ALA1134 |
| A | ASP1135 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 1303 |
| Chain | Residue |
| A | CYS1037 |
| A | CYS1074 |
| A | CYS1080 |
| A | CYS1084 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 1304 |
| Chain | Residue |
| A | CYS1031 |
| A | CYS1044 |
| A | CYS1074 |
| A | CYS1078 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 1305 |
| Chain | Residue |
| A | CYS1031 |
| A | CYS1033 |
| A | CYS1037 |
| A | CYS1042 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 1306 |
| Chain | Residue |
| A | CYS1172 |
| A | CYS1225 |
| A | CYS1227 |
| A | CYS1232 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | binding site for residue SAH A 1307 |
| Chain | Residue |
| A | MET1105 |
| A | TRP1107 |
| A | SER1141 |
| A | TYR1142 |
| A | ARG1166 |
| A | PHE1167 |
| A | ASN1169 |
| A | HIS1170 |
| A | TYR1211 |
| A | CYS1225 |
| A | ARG1226 |
| A | EDO1309 |
| A | HOH1413 |
| A | HOH1452 |
| A | HOH1518 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 1308 |
| Chain | Residue |
| A | ARG1101 |
| A | THR1102 |
| A | ARG1103 |
| A | ASP1104 |
| A | MET1105 |
| A | GLY1106 |
| A | HOH1561 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 1309 |
| Chain | Residue |
| A | PHE1223 |
| A | SAH1307 |
| A | HOH1411 |
| site_id | AD1 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 1310 |
| Chain | Residue |
| A | CYS1033 |
| A | ILE1034 |
| A | ASP1035 |
| A | SER1039 |
| A | ASN1041 |
| A | HOH1405 |
| B | LEU1070 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 1311 |
| Chain | Residue |
| A | ASN1013 |
| A | ILE1021 |
| A | HIS1185 |
| A | PHE1190 |
| A | ARG1192 |
| A | HOH1431 |
| A | HOH1436 |
| site_id | AD3 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 1312 |
| Chain | Residue |
| A | ARG981 |
| A | HOH1450 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 1313 |
| Chain | Residue |
| A | GLY986 |
| B | TRP1081 |
| B | PRO1230 |
| B | LYS1231 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 1314 |
| Chain | Residue |
| A | ARG1023 |
| A | HOH1447 |
| B | ASN1013 |
| B | ARG1023 |
| B | EDO1308 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 1315 |
| Chain | Residue |
| A | SER1005 |
| A | TYR1007 |
| A | TYR1009 |
| A | HOH1409 |
| A | HOH1461 |
| site_id | AD7 |
| Number of Residues | 15 |
| Details | binding site for residue JDG B 1301 |
| Chain | Residue |
| B | LYS1055 |
| B | TRP1081 |
| B | ASN1083 |
| B | ASP1104 |
| B | SER1224 |
| B | CYS1225 |
| B | ARG1226 |
| B | GLY1228 |
| B | SER1229 |
| B | CYS1232 |
| B | SER1235 |
| B | HOH1589 |
| B | ILE1034 |
| B | ASP1035 |
| B | ASP1036 |
| site_id | AD8 |
| Number of Residues | 18 |
| Details | binding site for residue JDG B 1302 |
| Chain | Residue |
| B | TYR1124 |
| B | ASP1131 |
| B | ALA1134 |
| B | ASP1135 |
| B | ASP1140 |
| B | SER1141 |
| B | LEU1143 |
| B | ASP1145 |
| B | VAL1153 |
| B | PHE1209 |
| B | TYR1211 |
| B | ARG1214 |
| B | PHE1215 |
| B | ILE1218 |
| B | LYS1219 |
| B | EDO1313 |
| B | HOH1409 |
| B | HOH1464 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 1303 |
| Chain | Residue |
| B | CYS1031 |
| B | CYS1033 |
| B | CYS1037 |
| B | CYS1042 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 1304 |
| Chain | Residue |
| B | CYS1037 |
| B | CYS1074 |
| B | CYS1080 |
| B | CYS1084 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 1305 |
| Chain | Residue |
| B | CYS1031 |
| B | CYS1044 |
| B | CYS1074 |
| B | CYS1078 |
| site_id | AE3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 1306 |
| Chain | Residue |
| B | CYS1172 |
| B | CYS1225 |
| B | CYS1227 |
| B | CYS1232 |
| site_id | AE4 |
| Number of Residues | 17 |
| Details | binding site for residue SAH B 1307 |
| Chain | Residue |
| B | MET1105 |
| B | TRP1107 |
| B | SER1141 |
| B | TYR1142 |
| B | ARG1166 |
| B | PHE1167 |
| B | ASN1169 |
| B | HIS1170 |
| B | TYR1211 |
| B | PHE1215 |
| B | CYS1225 |
| B | ARG1226 |
| B | HOH1438 |
| B | HOH1452 |
| B | HOH1456 |
| B | HOH1585 |
| B | HOH1601 |
| site_id | AE5 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 1308 |
| Chain | Residue |
| A | EDO1314 |
| B | ASN1013 |
| B | HIS1185 |
| B | PHE1190 |
| B | ARG1192 |
| B | HOH1411 |
| B | HOH1417 |
| site_id | AE6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 1309 |
| Chain | Residue |
| B | LYS1055 |
| B | GLY1220 |
| B | LYS1221 |
| B | LEU1222 |
| B | PHE1223 |
| B | HOH1402 |
| site_id | AE7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 1310 |
| Chain | Residue |
| B | SER1005 |
| B | TYR1007 |
| B | LYS1008 |
| B | TYR1009 |
| site_id | AE8 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 1311 |
| Chain | Residue |
| B | ARG1094 |
| B | ALA1095 |
| B | GLN1113 |
| B | PRO1116 |
| B | HOH1427 |
| B | HOH1586 |
| site_id | AE9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 1312 |
| Chain | Residue |
| B | ARG1101 |
| B | THR1102 |
| B | ARG1103 |
| B | GLY1106 |
| site_id | AF1 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 1313 |
| Chain | Residue |
| B | PHE1209 |
| B | ASP1210 |
| B | TYR1211 |
| B | JDG1302 |
| B | HOH1418 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 126 |
| Details | Domain: {"description":"Pre-SET","evidences":[{"source":"PROSITE-ProRule","id":"PRU00157","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 117 |
| Details | Domain: {"description":"SET","evidences":[{"source":"PROSITE-ProRule","id":"PRU00190","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 25 |
| Details | Region: {"description":"Interaction with histone H3"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 36 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Site: {"description":"Histone H3K9me binding","evidences":[{"source":"PubMed","id":"18264113","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20084102","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
