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 (A) | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | polymer | 832 | 95844.5 | 1 | UniProt (Q9R1E6) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) | Mus musculus (Mouse) | E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD |
| 2 | B (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 (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 | D (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 | E (A) | IODIDE ION | non-polymer | 126.9 | 1 | Chemie (IOD) | |||
| 6 | AA, F, H, I, J... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 14 | Chemie (EDO) | |||
| 7 | G, O, P, V, W... (A) | ZINC ION | non-polymer | 65.4 | 7 | Chemie (ZN) | |||
| 8 | M (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 9 | BA (A) | 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 |
