7P4J
Crystal structure of Autotaxin and tetrahydrocannabinol
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | polymer | 827 | 95037.7 | 1 | UniProt (Q64610) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Rattus norvegicus (Rat) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
| 2 | B (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | C, D (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E (A) | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol | non-polymer | 314.5 | 1 | Chemie (TCI) | |||
| 5 | F (A) | 7alpha-hydroxycholesterol | non-polymer | 402.7 | 1 | Chemie (5JK) | |||
| 6 | AA, BA, CA, DA, EA... (A) | IODIDE ION | non-polymer | 126.9 | 19 | Chemie (IOD) | |||
| 7 | K, S (A) | THIOCYANATE ION | non-polymer | 58.1 | 2 | Chemie (SCN) | |||
| 8 | L, M, N, O, P... (A) | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 9 | Q (A) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 10 | KA, LA (A) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 11 | MA (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 12 | NA (A) | water | water | 18.0 | 407 | Chemie (HOH) |
Sequence modifications
A: 36 - 862 (UniProt: Q64610)
| PDB | External Database | Details |
|---|---|---|
| Ala 410 | Asn 410 | engineered mutation |
| Phe 581 | Leu 581 | engineered mutation |
| Thr 591 | Arg 591 | engineered mutation |
| Ala 806 | Asn 806 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 95037.7 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 37 |
| Total formula weight | 4310.1 | |
| All* | Total formula weight | 99772.2 |
