8C3O
Crystal structure of autotaxin gamma and compound MEY-003
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) | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | polymer | 888 | 102023.9 | 2 | UniProt (Q13822) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Homo sapiens (human) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
| 2 | C (C) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 3 | D (D) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 4 | E, IA (A, B) | 7alpha-hydroxycholesterol | non-polymer | 402.7 | 2 | Chemie (5JK) | |||
| 5 | F, JA (A, B) | 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one | non-polymer | 363.4 | 2 | Chemie (T8R) | |||
| 6 | G, H, I, J, KA (A, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 7 | K, L, LA, MA (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 8 | AA, AB, BA, BB, CA... (A, B) | IODIDE ION | non-polymer | 126.9 | 37 | Chemie (IOD) | |||
| 9 | DB, HA (B, A) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 10 | EB, FB (A, B) | water | water | 18.0 | 49 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 888 (UniProt: Q13822)
| PDB | External Database | Details |
|---|---|---|
| Ala 54 | Asn 54 | engineered mutation |
| Ala 411 | Asn 411 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 204047.7 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1010.9 | |
| Non-Polymers* | Number of molecules | 52 |
| Total formula weight | 7029.8 | |
| All* | Total formula weight | 212088.5 |
