4NXO
Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Insulin-degrading enzyme | polymer | 990 | 114560.6 | 2 | UniProt (P14735) Pfam (PF00675) Pfam (PF05193) Pfam (PF16187) | Homo sapiens (human) | Abeta-degrading protease, Insulin protease, Insulinase, Insulysin |
| 2 | C, L (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, M (A, B) | 4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide | non-polymer | 447.5 | 2 | Chemie (2H7) | |||
| 4 | E, N (A, B) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 2 | Chemie (1PE) | |||
| 5 | F, G, H, O, P... (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 7 | Chemie (PEG) | |||
| 6 | I, J, R, S (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 7 | K, U (A, B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
| 8 | V (B) | 1,4-DIETHYLENE DIOXIDE | non-polymer | 88.1 | 1 | Chemie (DIO) | |||
| 9 | W, X (A, B) | water | water | 18.0 | 151 | Chemie (HOH) |
Sequence modifications
A, B: 42 - 1019 (UniProt: P14735)
| PDB | External Database | Details |
|---|---|---|
| Met 30 | - | expression tag |
| His 31 | - | expression tag |
| His 32 | - | expression tag |
| His 33 | - | expression tag |
| His 34 | - | expression tag |
| His 35 | - | expression tag |
| His 36 | - | expression tag |
| Ala 37 | - | expression tag |
| Ala 38 | - | expression tag |
| Gly 39 | - | expression tag |
| Ile 40 | - | expression tag |
| Pro 41 | - | expression tag |
| Leu 110 | Cys 110 | engineered mutation |
| Gln 111 | Glu 111 | engineered mutation |
| Ser 171 | Cys 171 | engineered mutation |
| Ala 178 | Cys 178 | engineered mutation |
| Val 257 | Cys 257 | engineered mutation |
| Leu 414 | Cys 414 | engineered mutation |
| Asn 573 | Cys 573 | engineered mutation |
| Ser 590 | Cys 590 | engineered mutation |
| Ser 789 | Cys 789 | engineered mutation |
| Ala 812 | Cys 812 | engineered mutation |
| Ala 819 | Cys 819 | engineered mutation |
| Ser 904 | Cys 904 | engineered mutation |
| Asn 966 | Cys 966 | engineered mutation |
| Ala 974 | Cys 974 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 229121.2 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 3058.1 | |
| All* | Total formula weight | 232179.3 |
