5LIA
Crystal structure of murine autotaxin in complex with a small molecule inhibitor
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 | 838 | 96643.4 | 1 | UniProt (Q9R1E6) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Mus musculus (Mouse) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
| 2 | B (B) | 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) | |||
| 3 | C (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 4 | D (A) | ~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide | non-polymer | 502.9 | 1 | Chemie (6XN) | |||
| 5 | E, F (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 6 | G (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | H (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 8 | I (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 9 | J (A) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 10 | K, L, M (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 11 | N (A) | water | water | 18.0 | 427 | 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 |
| 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 96643.4 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 1073.0 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1239.4 | |
| All* | Total formula weight | 98955.7 |
