3BY0
Crystal structure of Siderocalin (NGAL, Lipocalin 2) W79A-R81A complexed with Ferric Enterobactin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Neutrophil gelatinase-associated lipocalin | polymer | 198 | 22396.7 | 3 | UniProt (P80188) Pfam (PF00061) | Homo sapiens (human) | NGAL; p25; 25 kDa alpha-2-microglobulin-related subunit of MMP-9; Lipocalin-2; Oncogene 24p3 |
| 2 | D, J, L (A, B, C) | FE (III) ION | non-polymer | 55.8 | 3 | Chemie (FE) | |||
| 3 | E, M (A, C) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | F, N, O (A, C) | 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID | non-polymer | 241.2 | 3 | Chemie (DBS) | |||
| 5 | G, H, K, P (A, B, C) | 2,3-DIHYDROXY-BENZOIC ACID | non-polymer | 154.1 | 4 | Chemie (DBH) | |||
| 6 | I, Q, R (A, C) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 7 | S, T, U (A, B, C) | water | water | 18.0 | 78 | Chemie (HOH) |
Sequence modifications
A, B, C: -19 - 178 (UniProt: P80188)
| PDB | External Database | Details |
|---|---|---|
| Ala 79 | Trp 99 | engineered mutation |
| Ala 81 | Arg 101 | engineered mutation |
| Ser 87 | Cys 107 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 67190.1 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1976.0 | |
| All* | Total formula weight | 69166.2 |
