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 | 36 |
Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) |
Chain | Residue | Details |
A | LYS194 | |
D | LYS194 | |
D | LYS197 | |
E | LYS194 | |
E | LYS197 | |
F | LYS194 | |
F | LYS197 | |
G | LYS194 | |
G | LYS197 | |
H | LYS194 | |
H | LYS197 | |
I | LYS194 | |
I | LYS197 | |
J | LYS194 | |
A | LYS197 | |
J | LYS197 | |
K | LYS194 | |
K | LYS197 | |
L | LYS194 | |
L | LYS197 | |
B | LYS194 | |
B | LYS197 | |
C | LYS194 | |
C | LYS197 |