3FW5
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol
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 | 178 | 20556.4 | 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, M, P (A, B, C) | FE (III) ION | non-polymer | 55.8 | 3 | Chemie (FE) | |||
| 3 | E, N, Q (A, B, C) | 4-METHYLCATECHOL | non-polymer | 124.1 | 3 | Chemie (MCT) | |||
| 4 | F, G, H, R, S... (A, C) | SODIUM ION | non-polymer | 23.0 | 7 | Chemie (NA) | |||
| 5 | I (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | J, K, L, O, V... (A, B, C) | GLYCEROL | non-polymer | 92.1 | 9 | Chemie (GOL) | |||
| 7 | AA, BA, CA (A, B, C) | water | water | 18.0 | 268 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 178 (UniProt: P80188)
| PDB | External Database | Details |
|---|---|---|
| Ser 87 | Cys 107 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 61669.3 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 1565.2 | |
| All* | Total formula weight | 63234.5 |
