4HW3
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0042981 | biological_process | regulation of apoptotic process |
| B | 0042981 | biological_process | regulation of apoptotic process |
| C | 0042981 | biological_process | regulation of apoptotic process |
| D | 0042981 | biological_process | regulation of apoptotic process |
| E | 0042981 | biological_process | regulation of apoptotic process |
| F | 0042981 | biological_process | regulation of apoptotic process |
| G | 0042981 | biological_process | regulation of apoptotic process |
| H | 0042981 | biological_process | regulation of apoptotic process |
| I | 0042981 | biological_process | regulation of apoptotic process |
| J | 0042981 | biological_process | regulation of apoptotic process |
| K | 0042981 | biological_process | regulation of apoptotic process |
| L | 0042981 | biological_process | regulation of apoptotic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE 19G A 400 |
| Chain | Residue |
| A | PHE228 |
| A | LEU246 |
| A | VAL253 |
| A | ARG263 |
| A | THR266 |
| A | LEU267 |
| A | PHE270 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 19G B 400 |
| Chain | Residue |
| B | MET250 |
| B | VAL253 |
| B | ARG263 |
| B | THR266 |
| B | LEU267 |
| B | PHE270 |
| B | ILE294 |
| D | LYS308 |
| B | MET231 |
| B | LEU246 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE 19G C 400 |
| Chain | Residue |
| A | LYS308 |
| C | PHE228 |
| C | VAL253 |
| C | ARG263 |
| C | THR266 |
| C | LEU267 |
| C | PHE270 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE 19G D 400 |
| Chain | Residue |
| D | MET231 |
| D | VAL253 |
| D | ARG263 |
| D | LEU267 |
| D | PHE270 |
| D | ILE294 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE 19G E 400 |
| Chain | Residue |
| A | VAL258 |
| E | MET231 |
| E | LEU246 |
| E | ARG263 |
| E | THR266 |
| E | LEU267 |
| E | PHE270 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE 19G F 400 |
| Chain | Residue |
| D | VAL258 |
| F | PHE228 |
| F | LEU246 |
| F | MET250 |
| F | ARG263 |
| F | THR266 |
| F | LEU267 |
| F | PHE270 |
| F | ILE294 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE 19G G 400 |
| Chain | Residue |
| G | MET231 |
| G | LEU246 |
| G | VAL253 |
| G | ARG263 |
| G | THR266 |
| G | LEU267 |
| G | PHE270 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 19G H 400 |
| Chain | Residue |
| H | PHE228 |
| H | MET250 |
| H | VAL253 |
| H | ARG263 |
| H | THR266 |
| H | LEU267 |
| H | PHE270 |
| H | GLY271 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 19G I 400 |
| Chain | Residue |
| I | LEU246 |
| I | MET250 |
| I | VAL253 |
| I | PHE254 |
| I | ARG263 |
| I | LEU267 |
| I | PHE270 |
| K | HIS320 |
| site_id | BC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 19G J 400 |
| Chain | Residue |
| J | PHE228 |
| J | MET231 |
| J | LEU235 |
| J | LEU246 |
| J | MET250 |
| J | VAL253 |
| J | ARG263 |
| J | THR266 |
| J | LEU267 |
| J | PHE270 |
| J | GLY271 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE 19G K 400 |
| Chain | Residue |
| K | PHE228 |
| K | VAL253 |
| K | PHE254 |
| K | ARG263 |
| K | LEU267 |
| K | PHE270 |
| K | ILE294 |
| site_id | BC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 19G L 400 |
| Chain | Residue |
| L | LEU246 |
| L | MET250 |
| L | VAL253 |
| L | ARG263 |
| L | THR266 |
| L | LEU267 |
| L | PHE270 |
| L | GLY271 |
Functional Information from PROSITE/UniProt
| site_id | PS01080 |
| Number of Residues | 20 |
| Details | BH1 Apoptosis regulator, Bcl-2 family BH1 motif signature. VFsDGvtNWGRIVTLIsFGA |
| Chain | Residue | Details |
| A | VAL253-ALA272 |
| site_id | PS01258 |
| Number of Residues | 12 |
| Details | BH2 Apoptosis regulator, Bcl-2 family BH2 motif signature. WLvkqRGWDgFV |
| Chain | Residue | Details |
| A | TRP305-VAL316 |
| site_id | PS01259 |
| Number of Residues | 15 |
| Details | BH3 Apoptosis regulator, Bcl-2 family BH3 motif signature. AletLRrVGDGVQRN |
| Chain | Residue | Details |
| A | ALA209-ASN223 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 168 |
| Details | Motif: {"description":"BH3"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 240 |
| Details | Motif: {"description":"BH1"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 180 |
| Details | Motif: {"description":"BH2"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 35 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)"} |
| Chain | Residue | Details |
