4ZG9
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, B (A, B) | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | polymer | 863 | 99128.6 | 2 | UniProt (Q13822) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Homo sapiens (Human) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
| 2 | C (C) | 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 | D (D) | 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) | |||
| 4 | E, F, N, O (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 5 | G, P (A, B) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 6 | H, I, Q, R (A, B) | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
| 7 | J, K, S, T (A, B) | 3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid | non-polymer | 421.4 | 4 | Chemie (4O2) | |||
| 8 | L, M, U (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 9 | V, W (A, B) | water | water | 18.0 | 51 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 198257.3 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1010.9 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 2305.6 | |
| All* | Total formula weight | 201573.8 |
