4EHR
Crystal structure of Bcl-Xl complex with 4-(5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2(1h)-isoquinolinylcarbonyl)-n-((2-(trimethylsilyl)ethyl)sulfonyl)benzamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Bcl-2-like protein 1 | polymer | 172 | 19595.5 | 1 | UniProt (Q07817) Pfam (PF02180) Pfam (PF00452) | Homo sapiens (human) | Bcl2-L-1, Apoptosis regulator Bcl-X |
| 2 | B (A) | 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide | non-polymer | 672.9 | 1 | Chemie (0Q5) | |||
| 3 | C (A) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 4 | D (A) | water | water | 18.0 | 34 | Chemie (HOH) |
Sequence modifications
A: 1 - 209 (UniProt: Q07817)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19595.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 742.0 | |
| All* | Total formula weight | 20337.5 |
