3K3L
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin
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 | 178 | 20556.4 | 3 | UniProt (P80188) Pfam (PF00061) In PDB | Homo sapiens (human) | NGAL, p25, 25 kDa alpha-2-microglobulin-related subunit of MMP-9, Lipocalin-2, Oncogene 24p3 |
| 2 | A | 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID | non-polymer | 241.2 | 1 | Chemie (DBS) | |||
| 3 | A | 2,3-DIHYDROXY-BENZOIC ACID | non-polymer | 154.1 | 2 | Chemie (DBH) | |||
| 4 | A, C | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 5 | A, C | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 6 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | C | N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(L-seryloxy)propanoyl]-L-serine | non-polymer | 551.5 | 1 | Chemie (MCK) | |||
| 8 | C | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 9 | water | water | 18.0 | 116 | 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 | 15 |
| Total formula weight | 1923.0 | |
| All* | Total formula weight | 63592.4 |
