5INH
Crystal structure of Autotaxin/ENPP2 with a covalent fragment
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 | 879 | 100696.1 | 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-(1-2)-alpha-D-mannopyranose-(1-3)-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 (G01760ZU) | |||
| 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, E (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | F (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 6 | G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 7 | H (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 8 | I (A) | {2-[(3-chlorophenyl)methoxy]phenyl}boronic acid | non-polymer | 262.5 | 1 | Chemie (6C1) | |||
| 9 | J (A) | water | water | 18.0 | 259 | Chemie (HOH) |
Sequence modifications
A: 36 - 858 (UniProt: Q9R1E6)
| PDB | External Database | Details |
|---|---|---|
| Met -8 | - | initiating methionine |
| Leu -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Val -5 | - | expression tag |
| Asn -4 | - | expression tag |
| Gln -3 | - | expression tag |
| Ser -2 | - | expression tag |
| His -1 | - | expression tag |
| Gln 0 | - | expression tag |
| Gly 1 | - | expression tag |
| Phe 2 | - | expression tag |
| Asn 3 | - | expression tag |
| Lys 4 | - | expression tag |
| Glu 5 | - | expression tag |
| His 6 | - | expression tag |
| Thr 7 | - | expression tag |
| Ser 8 | - | expression tag |
| Lys 9 | - | expression tag |
| Met 10 | - | expression tag |
| Val 11 | - | expression tag |
| Ser 12 | - | expression tag |
| Ala 13 | - | expression tag |
| Ile 14 | - | expression tag |
| Val 15 | - | expression tag |
| Leu 16 | - | expression tag |
| Tyr 17 | - | expression tag |
| Val 18 | - | expression tag |
| Leu 19 | - | expression tag |
| Leu 20 | - | expression tag |
| Ala 21 | - | expression tag |
| Ala 22 | - | expression tag |
| Ala 23 | - | expression tag |
| Ala 24 | - | expression tag |
| His 25 | - | expression tag |
| Ser 26 | - | expression tag |
| Ala 27 | - | expression tag |
| Phe 28 | - | expression tag |
| Ala 29 | - | expression tag |
| Ala 30 | - | expression tag |
| Asp 31 | - | expression tag |
| Pro 32 | - | expression tag |
| Gly 33 | - | expression tag |
| Gly 34 | - | expression tag |
| Ser 35 | - | expression tag |
| Ser 859 | - | expression tag |
| Ala 860 | - | expression tag |
| Glu 861 | - | expression tag |
| Asn 862 | - | expression tag |
| Leu 863 | - | expression tag |
| Tyr 864 | - | expression tag |
| Phe 865 | - | expression tag |
| Gln 866 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 100696.1 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1497.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 713.6 | |
| All* | Total formula weight | 102907.2 |
