3HWG
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam-hopo2
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, R, V (A, B, C) | FE (III) ION | non-polymer | 55.8 | 3 | Chemie (FE) | |||
| 3 | E, S, W (A, B, C) | N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide) | non-polymer | 556.5 | 3 | Chemie (QED) | |||
| 4 | AA, BA, CA, DA, F... (C, A, B) | GLYCEROL | non-polymer | 92.1 | 12 | Chemie (GOL) | |||
| 5 | EA, FA, GA, HA, K... (C, A) | SODIUM ION | non-polymer | 23.0 | 8 | Chemie (NA) | |||
| 6 | IA, JA, KA, O, P... (C, A, B) | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 7 | X (C) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 8 | LA, MA, NA (A, B, C) | water | water | 18.0 | 167 | 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 | 34 |
| Total formula weight | 3834.1 | |
| All* | Total formula weight | 71627.9 |
