6UVG
Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid
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 | 10 |
| Details | binding site for residue QHP A 301 |
| Chain | Residue |
| A | ALA93 |
| A | HOH433 |
| A | PHE97 |
| A | TYR101 |
| A | ALA104 |
| A | PHE105 |
| A | LEU130 |
| A | ASN136 |
| A | GLY138 |
| A | LEU194 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | LYS20 |
| B | ARG102 |
| G | LYS20 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | SER25 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | binding site for residue QHP B 301 |
| Chain | Residue |
| B | ALA93 |
| B | PHE97 |
| B | TYR101 |
| B | ALA104 |
| B | PHE105 |
| B | LEU130 |
| B | ASN136 |
| B | GLY138 |
| B | ARG139 |
| B | LEU194 |
| B | HOH406 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 302 |
| Chain | Residue |
| B | ARG100 |
| B | TYR101 |
| B | ARG102 |
| B | ARG103 |
| B | ALA104 |
| site_id | AC6 |
| Number of Residues | 19 |
| Details | binding site for residue QHP C 301 |
| Chain | Residue |
| C | ALA93 |
| C | GLU96 |
| C | PHE97 |
| C | ARG100 |
| C | TYR101 |
| C | ALA104 |
| C | PHE105 |
| C | LEU130 |
| C | ASN136 |
| C | GLY138 |
| C | ARG139 |
| C | ALA142 |
| C | LEU194 |
| C | HOH401 |
| C | HOH411 |
| K | THR118 |
| K | ALA119 |
| K | TYR120 |
| K | GLN121 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 C 302 |
| Chain | Residue |
| C | ARG91 |
| D | SER14 |
| D | ALA84 |
| D | GLN88 |
| D | ARG91 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | binding site for residue QHP D 301 |
| Chain | Residue |
| D | ALA93 |
| D | PHE97 |
| D | TYR101 |
| D | ALA104 |
| D | PHE105 |
| D | LEU108 |
| D | ASN136 |
| D | GLY138 |
| D | ARG139 |
| D | LEU194 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 D 302 |
| Chain | Residue |
| C | SER14 |
| C | ALA84 |
| C | GLN88 |
| C | ARG91 |
| D | ASP11 |
| D | ARG91 |
| site_id | AD1 |
| Number of Residues | 15 |
| Details | binding site for residue QHP E 301 |
| Chain | Residue |
| C | ALA119 |
| C | TYR120 |
| C | GLN121 |
| E | ALA93 |
| E | PHE97 |
| E | ARG100 |
| E | TYR101 |
| E | ALA104 |
| E | PHE105 |
| E | LEU130 |
| E | ASN136 |
| E | GLY138 |
| E | ARG139 |
| E | HOH404 |
| E | HOH412 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO E 302 |
| Chain | Residue |
| E | SER25 |
| E | GLN26 |
| E | MET83 |
| E | HOH403 |
| site_id | AD3 |
| Number of Residues | 12 |
| Details | binding site for residue QHP F 301 |
| Chain | Residue |
| F | LEU194 |
| F | TYR195 |
| F | ALA93 |
| F | GLU96 |
| F | TYR101 |
| F | ALA104 |
| F | PHE105 |
| F | LEU108 |
| F | LEU130 |
| F | ASN136 |
| F | GLY138 |
| F | ARG139 |
| site_id | AD4 |
| Number of Residues | 13 |
| Details | binding site for residue QHP G 301 |
| Chain | Residue |
| G | ALA93 |
| G | GLU96 |
| G | PHE97 |
| G | TYR101 |
| G | ALA104 |
| G | PHE105 |
| G | LEU108 |
| G | LEU130 |
| G | ASN136 |
| G | GLY138 |
| G | LEU194 |
| G | TYR195 |
| G | HOH401 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue EDO G 302 |
| Chain | Residue |
| G | ARG91 |
| H | SER18 |
| H | GLN88 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue EDO G 303 |
| Chain | Residue |
| G | ASP95 |
| G | GLU98 |
| H | LYS16 |
| site_id | AD7 |
| Number of Residues | 14 |
| Details | binding site for residue QHP H 301 |
| Chain | Residue |
| H | ALA93 |
| H | PHE97 |
| H | TYR101 |
| H | ALA104 |
| H | PHE105 |
| H | LEU130 |
| H | ASN136 |
| H | GLY138 |
| H | ARG139 |
| H | LEU194 |
| H | EDO303 |
| H | HOH402 |
| J | PRO116 |
| J | GLY117 |
| site_id | AD8 |
| Number of Residues | 1 |
| Details | binding site for residue SO4 H 302 |
| Chain | Residue |
| A | ARG102 |
| site_id | AD9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO H 303 |
| Chain | Residue |
| H | ARG139 |
| H | QHP301 |
| site_id | AE1 |
| Number of Residues | 6 |
| Details | binding site for residue QHP I 301 |
| Chain | Residue |
| I | ALA93 |
| I | PHE97 |
| I | TYR101 |
| I | ALA104 |
| I | ASN136 |
| I | GLY138 |
| site_id | AE2 |
| Number of Residues | 10 |
| Details | binding site for residue QHP J 301 |
| Chain | Residue |
| J | ALA93 |
| J | GLU96 |
| J | PHE97 |
| J | TYR101 |
| J | ALA104 |
| J | PHE105 |
| J | ASN136 |
| J | GLY138 |
| J | ARG139 |
| J | ALA142 |
| site_id | AE3 |
| Number of Residues | 1 |
| Details | binding site for residue SO4 J 302 |
| Chain | Residue |
| J | LYS20 |
| site_id | AE4 |
| Number of Residues | 10 |
| Details | binding site for residue QHP K 301 |
| Chain | Residue |
| K | ALA93 |
| K | PHE97 |
| K | TYR101 |
| K | ALA104 |
| K | PHE105 |
| K | LEU130 |
| K | ASN136 |
| K | TRP137 |
| K | GLY138 |
| K | ALA142 |
| site_id | AE5 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 K 302 |
| Chain | Residue |
| K | ARG102 |
| L | LYS20 |
| site_id | AE6 |
| Number of Residues | 6 |
| Details | binding site for residue QHP L 301 |
| Chain | Residue |
| L | ALA93 |
| L | PHE97 |
| L | TYR101 |
| L | ASN136 |
| L | TRP137 |
| L | GLY138 |
| site_id | AE7 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 L 302 |
| Chain | Residue |
| K | LYS20 |
| L | ARG102 |
Functional Information from PROSITE/UniProt
| site_id | PS01080 |
| Number of Residues | 19 |
| Details | BH1 Apoptosis regulator, Bcl-2 family BH1 motif signature. LFrDGv.NWGRIVAFFsFGG |
| Chain | Residue | Details |
| A | LEU130-GLY148 |
| site_id | PS01258 |
| Number of Residues | 12 |
| Details | BH2 Apoptosis regulator, Bcl-2 family BH2 motif signature. WIqenGGWDtFV |
| Chain | Residue | Details |
| A | TRP181-VAL192 |
| site_id | PS01259 |
| Number of Residues | 15 |
| Details | BH3 Apoptosis regulator, Bcl-2 family BH3 motif signature. VkqaLReAGDEFELR |
| Chain | Residue | Details |
| A | VAL86-ARG100 |
| site_id | PS01260 |
| Number of Residues | 21 |
| Details | BH4_1 Apoptosis regulator, Bcl-2 family BH4 motif signature. SNRELVvDFLSYKLSQKGYsW |
| Chain | Residue | Details |
| A | SER4-TRP24 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 240 |
| Details | Motif: {"description":"BH4"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 168 |
| Details | Motif: {"description":"BH3"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 228 |
| Details | Motif: {"description":"BH1"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 180 |
| Details | Motif: {"description":"BH2"} |
| Chain | Residue | Details |
