4Q6R
Crystal structure of human sphingosine-1-phosphate lyase in complex with inhibitor 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Sphingosine-1-phosphate lyase 1 | polymer | 511 | 56867.6 | 2 | UniProt (O95470) Pfam (PF00282) | Homo sapiens (human) | S1PL, SP-lyase 1, SPL 1, hSPL, Sphingosine-1-phosphate aldolase |
| 2 | C (A) | SUCCINIC ACID | non-polymer | 118.1 | 1 | Chemie (SIN) | |||
| 3 | D (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | E, G (A, B) | 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile | non-polymer | 455.0 | 2 | Chemie (30J) | |||
| 5 | F (B) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 6 | H, I (A, B) | water | water | 18.0 | 344 | Chemie (HOH) |
Sequence modifications
A, B: 62 - 568 (UniProt: O95470)
| PDB | External Database | Details |
|---|---|---|
| Gly 58 | - | expression tag |
| Pro 59 | - | expression tag |
| Gly 60 | - | expression tag |
| Ser 61 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 113735.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1215.1 | |
| All* | Total formula weight | 114950.2 |
