8C4W
Crystal structure of rat autotaxin and compound MEY-002
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 | 98826.3 | 1 | UniProt (Q64610) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Rattus norvegicus (Norway rat) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
| 2 | B (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | C, D (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, F, H, Q, R... (A) | IODIDE ION | non-polymer | 126.9 | 9 | Chemie (IOD) | |||
| 5 | G, I, M, N, O... (A) | THIOCYANATE ION | non-polymer | 58.1 | 6 | Chemie (SCN) | |||
| 6 | J (A) | 7alpha-hydroxycholesterol | non-polymer | 402.7 | 1 | Chemie (5JK) | |||
| 7 | K (A) | 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one | non-polymer | 383.4 | 1 | Chemie (TIJ) | |||
| 8 | L (A) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 1 | Chemie (P6G) | |||
| 9 | W, X (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 10 | Y (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 11 | Z (A) | water | water | 18.0 | 318 | Chemie (HOH) |
Sequence modifications
A: 1 - 862 (UniProt: Q64610)
| PDB | External Database | Details |
|---|---|---|
| Ala 53 | Asn 53 | engineered mutation |
| Ala 410 | Asn 410 | engineered mutation |
| - | Glu 592 | deletion |
| - | Ala 593 | deletion |
| - | Glu 594 | deletion |
| - | Thr 595 | deletion |
| - | Gly 596 | deletion |
| - | Lys 597 | deletion |
| - | Phe 598 | deletion |
| - | Arg 599 | deletion |
| - | Gly 600 | deletion |
| - | Ser 601 | deletion |
| - | Lys 602 | deletion |
| - | His 603 | deletion |
| - | Glu 604 | deletion |
| - | Asn 605 | deletion |
| - | Lys 606 | deletion |
| - | Lys 607 | deletion |
| - | Asn 608 | deletion |
| - | Leu 609 | deletion |
| - | Asn 610 | deletion |
| - | Gly 611 | deletion |
| - | Ser 612 | deletion |
| - | Val 613 | deletion |
| - | Glu 614 | deletion |
| - | Pro 615 | deletion |
| - | Arg 616 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 98826.3 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2914.1 | |
| All* | Total formula weight | 102164.7 |
