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 | Neutrophil gelatinase-associated lipocalin | polymer | 183 | 21042.0 | 3 | UniProt (P80188) Pfam (PF00061) In PDB | Homo sapiens (human) | NGAL, 25 kDa alpha-2-microglobulin-related subunit of MMP-9, Lipocalin-2, Oncogene 24p3, p25 |
2 | A, B, C | 1-phenylurea | non-polymer | 136.2 | 5 | Chemie (PHU) | |||
3 | A, B, C | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
4 | A, B, C | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
5 | A, C | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
6 | 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 |