3TZS
Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea
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 | 183 | 21042.0 | 3 | UniProt (P80188) Pfam (PF00061) | Homo sapiens (human) | NGAL, 25 kDa alpha-2-microglobulin-related subunit of MMP-9, Lipocalin-2, Oncogene 24p3, p25 |
| 2 | D, H, J, N, S (A, B, C) | 1-phenylurea | non-polymer | 136.2 | 5 | Chemie (PHU) | |||
| 3 | E, G, K, M, O... (A, B, C) | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
| 4 | F, L, Q (A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | I, P (A, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 6 | V, W, X (A, B, C) | water | water | 18.0 | 158 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 178 (UniProt: P80188)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Ser 87 | Cys 107 | engineered mutation |
| Ile 179 | - | expression tag |
| Val 180 | - | expression tag |
| Thr 181 | - | expression tag |
| Asp 182 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 63125.9 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 1679.8 | |
| All* | Total formula weight | 64805.7 |
