7Z3K
Autotaxin in complex with orthosteric site-binder CpdA
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 | AAA | Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | polymer | 805 | 92590.1 | 1 | UniProt (Q64610) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) In PDB | Rattus norvegicus (Norway rat) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
2 | AbA | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 383.3 | 1 | In PDB GlyTouCan (G90333CG) | |||
3 | AAA | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
4 | AAA | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
5 | AAA | 7alpha-hydroxycholesterol | non-polymer | 402.7 | 1 | Chemie (5JK) | |||
6 | AAA | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
7 | AAA | IODIDE ION | non-polymer | 126.9 | 17 | Chemie (IOD) | |||
8 | AAA | THIOCYANATE ION | non-polymer | 58.1 | 6 | Chemie (SCN) | |||
9 | AAA | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
10 | AAA | GLYCEROL | non-polymer | 92.1 | 9 | Chemie (GOL) | |||
11 | AAA | [(2~{S},4~{R})-4-[2-[(3,5-dimethylphenyl)amino]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-piperidin-1-yl]-(6-fluoranyl-1~{H}-benzotriazol-5-yl)methanone | non-polymer | 500.6 | 1 | Chemie (IA0) | |||
12 | water | water | 18.0 | 527 | Chemie (HOH) |
Sequence modifications
AAA: 56 - 860 (UniProt: Q64610)
PDB | External Database | Details |
---|---|---|
Ala 410 | Asn 410 | engineered mutation |
Thr 591 | Arg 591 | engineered mutation |
Ala 806 | Asn 806 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 92590.1 | |
Branched | Number of molecules | 1 |
Total formula weight | 383.3 | |
Non-Polymers* | Number of molecules | 40 |
Total formula weight | 4676.0 | |
All* | Total formula weight | 97649.5 |