7MFH
Crystal structure of BIO-32546 bound mouse Autotaxin
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | polymer | 832 | 95844.5 | 1 | UniProt (Q9R1E6) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) In PDB | Mus musculus (Mouse) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
2 | B | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1073.0 | 1 | In PDB GlyTouCan (G47410OF) | |||
3 | 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) | |||
4 | A | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid | non-polymer | 543.5 | 1 | Chemie (ZF7) | |||
5 | A | IODIDE ION | non-polymer | 126.9 | 1 | Chemie (IOD) | |||
6 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 14 | Chemie (EDO) | |||
7 | A | ZINC ION | non-polymer | 65.4 | 7 | Chemie (ZN) | |||
8 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
9 | water | water | 18.0 | 172 | Chemie (HOH) |
Sequence modifications
A: 34 - 862 (UniProt: Q9R1E6)
PDB | External Database | Details |
---|---|---|
Gly 56 | - | insertion |
Ser 57 | - | insertion |
- | Gly 69 | deletion |
- | Lys 571 | deletion |
- | Val 572 | deletion |
- | Glu 573 | deletion |
- | Pro 574 | deletion |
Ser 863 | - | expression tag |
Arg 864 | - | expression tag |
Glu 865 | - | expression tag |
Asn 866 | - | expression tag |
Leu 867 | - | expression tag |
Tyr 868 | - | expression tag |
Phe 869 | - | expression tag |
Gln 870 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 95844.5 | |
Branched | Number of molecules | 2 |
Total formula weight | 1497.4 | |
Non-Polymers* | Number of molecules | 24 |
Total formula weight | 2103.4 | |
All* | Total formula weight | 99445.3 |