5L0K
Crystal Structure of Autotaxin and Compound PF-8380
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | polymer | 809 | 93006.5 | 2 | UniProt (Q64610) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) In PDB | Rattus norvegicus (Rat) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
2 | C | 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 | D | 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) | |||
4 | A, B | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
5 | A, B | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
6 | A, B | (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate | non-polymer | 478.3 | 2 | Chemie (6ZO) | |||
7 | A, B | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
8 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
9 | water | water | 18.0 | 117 | Chemie (HOH) |
Sequence modifications
A, B: 51 - 859 (UniProt: Q64610)
PDB | External Database | Details |
---|---|---|
Ala 53 | Asn 53 | engineered mutation |
Ala 398 | Asn 398 | engineered mutation |
Ala 410 | Asn 410 | engineered mutation |
Thr 591 | Arg 591 | engineered mutation |
Glu 592 | Lys 592 | engineered mutation |
Ala 806 | Asn 806 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 186013.1 | |
Branched | Number of molecules | 2 |
Total formula weight | 1010.9 | |
Non-Polymers* | Number of molecules | 12 |
Total formula weight | 1846.0 | |
All* | Total formula weight | 188870.0 |