5OLB
crystal structure of autotaxin in complex with PF-8380
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 | 844 | 97350.2 | 1 | UniProt (Q9R1E6) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Mus musculus (House Mouse) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
| 2 | B (B) | alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1041.0 | 1 | In PDB GlyTouCan (G17601US) | |||
| 3 | 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) | |||
| 4 | D (D) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1073.0 | 1 | In PDB GlyTouCan (G47410OF) | |||
| 5 | E, F (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 6 | G, J (A) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 7 | H, L (A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 8 | I (A) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 9 | K (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 10 | M (A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 11 | N (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 12 | O (A) | (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate | non-polymer | 478.3 | 1 | Chemie (6ZO) | |||
| 13 | P (A) | water | water | 18.0 | 805 | Chemie (HOH) |
Sequence modifications
A: 36 - 858 (UniProt: Q9R1E6)
| PDB | External Database | Details |
|---|---|---|
| Asp 32 | - | expression tag |
| Pro 33 | - | expression tag |
| Ser 34 | - | expression tag |
| Met 35 | - | expression tag |
| - | Lys 571 | deletion |
| - | Val 572 | deletion |
| - | Glu 573 | deletion |
| - | Pro 574 | deletion |
| Ser 859 | - | expression tag |
| Arg 860 | - | expression tag |
| Glu 861 | - | expression tag |
| Asn 862 | - | expression tag |
| Leu 863 | - | expression tag |
| Tyr 864 | - | expression tag |
| Phe 865 | - | expression tag |
| Gln 866 | - | expression tag |
| Gly 867 | - | expression tag |
| His 868 | - | expression tag |
| His 869 | - | expression tag |
| His 870 | - | expression tag |
| His 871 | - | expression tag |
| His 872 | - | expression tag |
| His 873 | - | expression tag |
| His 874 | - | expression tag |
| His 875 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 97350.2 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 2538.3 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1056.1 | |
| All* | Total formula weight | 100944.6 |
