3HWF
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam2-hopo
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 | 22598.0 | 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, K, N (A, B, C) | FE (III) ION | non-polymer | 55.8 | 3 | Chemie (FE) | |||
| 3 | E, F, O, P (A, C) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | G, J, L, U (A, B, C) | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
| 5 | H, M, Q (A, B, C) | N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide | non-polymer | 555.5 | 3 | Chemie (TC2) | |||
| 6 | I, R (A, C) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 7 | S, T, V (C) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 8 | W, X, Y (A, B, C) | water | water | 18.0 | 17 | Chemie (HOH) |
Sequence modifications
A, B, C: -19 - 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 | 67793.9 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 2657.5 | |
| All* | Total formula weight | 70451.4 |
