6AEL
Crystal structure of ENPP1 in complex with 3'3'-cGAMP
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 1, isoform CRA_d | polymer | 738 | 84816.2 | 1 | UniProt (G3X9S2) Pfam (PF01663) Pfam (PF01223) UniProt (by SIFTS) (P06802) | Mus musculus (Mouse) | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 |
| 2 | B (B) | alpha-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 (G62182OO) | |||
| 3 | C, D, E (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 4 | F (A) | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one | non-polymer | 674.4 | 1 | Chemie (4BW) | |||
| 5 | G, H (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 6 | I (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 7 | J, K, L, M, N... (A) | CHLORIDE ION | non-polymer | 35.5 | 6 | Chemie (CL) | |||
| 8 | P, Q, R, S, T... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
| 9 | X (A) | water | water | 18.0 | 356 | Chemie (HOH) |
Sequence modifications
A: 170 - 905 (UniProt: G3X9S2)
| PDB | External Database | Details |
|---|---|---|
| Gly 168 | - | See sequence details |
| Pro 169 | - | See sequence details |
| Ala 238 | Thr 238 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 84816.2 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 586.5 | |
| Non-Polymers* | Number of molecules | 21 |
| Total formula weight | 2218.2 | |
| All* | Total formula weight | 87620.9 |
