7P0K
Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (AAA) | Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | polymer | 770 | 88616.5 | 1 | UniProt (Q64610) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Rattus norvegicus (Norway rat) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
| 2 | B (AbA) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1194.1 | 1 | In PDB GlyTouCan (G19138OU) | |||
| 3 | C (AAA) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 4 | D, E, O (AAA) | THIOCYANATE ION | non-polymer | 58.1 | 3 | Chemie (SCN) | |||
| 5 | F, G (AAA) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 6 | H (AAA) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 7 | I, J, K, M, N (AAA) | IODIDE ION | non-polymer | 126.9 | 5 | Chemie (IOD) | |||
| 8 | L (AAA) | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile | non-polymer | 592.7 | 1 | Chemie (4I0) | |||
| 9 | P (AAA) | water | water | 18.0 | 304 | Chemie (HOH) |
Sequence modifications
AAA: 56 - 859 (UniProt: Q64610)
| PDB | External Database | Details |
|---|---|---|
| - | Asn 398 | deletion |
| - | Asn 399 | deletion |
| - | Ser 400 | deletion |
| - | Lys 401 | deletion |
| Ala 410 | Asn 410 | engineered mutation |
| - | Leu 458 | deletion |
| - | Asp 459 | deletion |
| - | Val 460 | deletion |
| - | Tyr 461 | deletion |
| - | Lys 462 | deletion |
| - | Lys 463 | deletion |
| - | Pro 464 | deletion |
| - | Ser 465 | deletion |
| - | Gly 466 | deletion |
| - | Lys 467 | deletion |
| - | Gly 554 | deletion |
| - | Asp 570 | deletion |
| - | Lys 571 | deletion |
| - | Val 572 | deletion |
| - | Glu 573 | deletion |
| - | Pro 574 | deletion |
| - | Lys 575 | deletion |
| - | Asn 576 | deletion |
| - | Lys 577 | deletion |
| - | Leu 578 | deletion |
| - | Glu 579 | deletion |
| - | Glu 580 | deletion |
| - | Leu 581 | deletion |
| - | Asn 582 | deletion |
| - | Lys 583 | deletion |
| - | Arg 584 | deletion |
| - | Leu 585 | deletion |
| - | His 586 | deletion |
| - | Thr 587 | deletion |
| - | Lys 588 | deletion |
| Thr 591 | Arg 591 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 88616.5 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 1194.1 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1793.6 | |
| All* | Total formula weight | 91604.1 |
