5OHI
Crystal structure of autotaxin in complex with BI-2545
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 | 829 | 95513.2 | 1 | UniProt (Q9R1E6) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Mus musculus (House Mouse) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
| 2 | B, C (B, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 3 | D (D) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1235.1 | 1 | In PDB GlyTouCan (G16404YH) | |||
| 4 | E, F (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | G, L (A) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 6 | H (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 7 | I (A) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 8 | J (A) | 3,6,9,12,15-PENTAOXAHEPTADECANE | non-polymer | 250.3 | 1 | Chemie (P3G) | |||
| 9 | K (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 10 | M (A) | [3,5-bis(trifluoromethyl)phenyl]methyl (1~{S},5~{R})-6-[(1~{H}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate | non-polymer | 527.4 | 1 | Chemie (9V8) | |||
| 11 | N (A) | water | water | 18.0 | 563 | Chemie (HOH) |
Sequence modifications
A: 36 - 858 (UniProt: Q9R1E6)
| PDB | External Database | Details |
|---|---|---|
| - | Lys 571 | deletion |
| - | Val 572 | deletion |
| - | Glu 573 | deletion |
| - | Pro 574 | deletion |
| Glu 859 | - | expression tag |
| Asn 860 | - | expression tag |
| Leu 861 | - | expression tag |
| Tyr 862 | - | expression tag |
| Phe 863 | - | expression tag |
| Gln 864 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 95513.2 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 2083.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1086.3 | |
| All* | Total formula weight | 98683.3 |
