2XRG
Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid 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 | 862 | 98869.2 | 1 | UniProt (Q64610) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | RATTUS NORVEGICUS (NORWAY RAT) | AUTOTAXIN ENPP2, EXTRACELLULAR LYSOPHOSPHOLIPASE D, LYSOPLD, AUTOTAXIN, E-NPP 2 |
| 2 | B (B) | 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) | |||
| 3 | C (A) | {4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-) | non-polymer | 480.3 | 1 | Chemie (SWH) | |||
| 4 | D, E (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | F (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 6 | G, H, I, J, K (A) | IODIDE ION | non-polymer | 126.9 | 5 | Chemie (IOD) | |||
| 7 | L (A) | water | water | 18.0 | 11 | Chemie (HOH) |
Sequence modifications
A: 1 - 862 (UniProt: Q64610)
| PDB | External Database | Details |
|---|---|---|
| Ala 410 | Asn 410 | engineered mutation |
| Thr 591 | Arg 591 | conflict |
| Glu 592 | Lys 592 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 98869.2 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 586.5 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1285.7 | |
| All* | Total formula weight | 100741.5 |
