3CMP
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A mutant 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 | 22539.9 | 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, N (A, B, C) | FE (III) ION | non-polymer | 55.8 | 3 | Chemie (FE) | |||
| 3 | E, K, O, P, Q... (A, B, C) | SODIUM ION | non-polymer | 23.0 | 7 | Chemie (NA) | |||
| 4 | F, G, T (A, C) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | H, U (A, C) | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) | non-polymer | 669.5 | 2 | Chemie (EB4) | |||
| 6 | I, V, W (A, C) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 7 | L, M (B) | 2,3-DIHYDROXY-BENZOIC ACID | non-polymer | 154.1 | 2 | Chemie (DBH) | |||
| 8 | X, Y, Z (A, B, C) | water | water | 18.0 | 93 | Chemie (HOH) |
Sequence modifications
A, B, C: -19 - 178 (UniProt: P80188)
| PDB | External Database | Details |
|---|---|---|
| Ser 87 | Cys 107 | engineered mutation |
| Ala 125 | Lys 145 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 67619.6 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 2540.3 | |
| All* | Total formula weight | 70159.9 |
