3QKD
Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Bcl-2-like protein 1 | polymer | 181 | 20804.9 | 2 | UniProt (Q07817) Pfam (PF02180) Pfam (PF00452) In PDB | Homo sapiens (human) | Bcl-xL, Bcl2-L-1, Apoptosis regulator Bcl-X |
| 2 | A, B | (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide | non-polymer | 837.5 | 2 | Chemie (HI0) | |||
| 3 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | water | water | 18.0 | 210 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 209 (UniProt: Q07817)
| PDB | External Database | Details |
|---|---|---|
| Met -3 | - | expression tag |
| Ser -2 | - | expression tag |
| Met -1 | - | expression tag |
| Ala 0 | - | expression tag |
| - | Met 45 | deletion |
| - | Glu 46 | deletion |
| - | Thr 47 | deletion |
| - | Pro 48 | deletion |
| - | Ser 49 | deletion |
| - | Ala 50 | deletion |
| - | Ile 51 | deletion |
| - | Asn 52 | deletion |
| - | Gly 53 | deletion |
| - | Asn 54 | deletion |
| - | Pro 55 | deletion |
| - | Ser 56 | deletion |
| - | Trp 57 | deletion |
| - | His 58 | deletion |
| - | Leu 59 | deletion |
| - | Ala 60 | deletion |
| - | Asp 61 | deletion |
| - | Ser 62 | deletion |
| - | Pro 63 | deletion |
| - | Ala 64 | deletion |
| - | Val 65 | deletion |
| - | Asn 66 | deletion |
| - | Gly 67 | deletion |
| - | Ala 68 | deletion |
| - | Thr 69 | deletion |
| - | Gly 70 | deletion |
| - | His 71 | deletion |
| - | Ser 72 | deletion |
| - | Ser 73 | deletion |
| - | Ser 74 | deletion |
| - | Leu 75 | deletion |
| - | Asp 76 | deletion |
| - | Ala 77 | deletion |
| - | Arg 78 | deletion |
| - | Glu 79 | deletion |
| - | Val 80 | deletion |
| - | Ile 81 | deletion |
| - | Pro 82 | deletion |
| - | Met 83 | deletion |
| - | Ala 84 | deletion |
| Leu 210 | - | expression tag |
| Glu 211 | - | expression tag |
| His 212 | - | expression tag |
| His 213 | - | expression tag |
| His 214 | - | expression tag |
| His 215 | - | expression tag |
| His 216 | - | expression tag |
| His 217 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 41609.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1802.5 | |
| All* | Total formula weight | 43412.3 |
