4ZGA
Structural basis for inhibition of human autotaxin by four novel compounds
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 | 863 | 99128.6 | 1 | UniProt (Q13822) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Homo sapiens (Human) | 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 (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D, H (A) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 5 | E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | F, G (A) | THIOCYANATE ION | non-polymer | 58.1 | 2 | Chemie (SCN) | |||
| 7 | I (A) | ARACHIDONIC ACID | non-polymer | 304.5 | 1 | Chemie (ACD) | |||
| 8 | J (A) | (11aS)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione | non-polymer | 349.4 | 1 | Chemie (4O3) | |||
| 9 | K (A) | water | water | 18.0 | 18 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 99128.6 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 977.6 | |
| All* | Total formula weight | 100530.6 |
