3NKQ
Crystal structure of mouse autotaxin in complex with 18:3-LPA
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 | 831 | 95757.4 | 1 | UniProt (Q9R1E6) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Mus musculus (mouse) | ATX, E-NPP 2, Autotaxin, Extracellular lysophospholipase D, LysoPLD |
| 2 | B, D (B, D) | 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 | C (C) | 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) | |||
| 4 | E, F (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | G (A) | CALCIUM ION | non-polymer | 40.1 | 1 | 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, K (A) | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate | non-polymer | 432.5 | 2 | Chemie (NKQ) | |||
| 9 | L, M (A) | THIOCYANATE ION | non-polymer | 58.1 | 2 | Chemie (SCN) | |||
| 10 | AA, BA, CA, DA, EA... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 21 | Chemie (EDO) | |||
| 11 | IA (A) | water | water | 18.0 | 696 | Chemie (HOH) |
Sequence modifications
A: 36 - 858 (UniProt: Q9R1E6)
| PDB | External Database | Details |
|---|---|---|
| - | Lys 571 | SEE REMARK 999 |
| - | Val 572 | SEE REMARK 999 |
| - | Glu 573 | SEE REMARK 999 |
| - | Pro 574 | SEE REMARK 999 |
| 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 95757.4 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1921.8 | |
| Non-Polymers* | Number of molecules | 30 |
| Total formula weight | 2517.6 | |
| All* | Total formula weight | 100196.7 |
