3I0A
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K134A mutant complexed with Ferric 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 (A, B, C) | Neutrophil gelatinase-associated lipocalin | polymer | 198 | 22539.9 | 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, J (A, C) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 3 | E, H, K (A, B, C) | FE (III) ION | non-polymer | 55.8 | 3 | Chemie (FE) | |||
| 4 | F (A) | O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine | non-polymer | 415.4 | 1 | Chemie (3ET) | |||
| 5 | G (A) | N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2R)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-L-serine | non-polymer | 464.4 | 1 | Chemie (2DS) | |||
| 6 | I (B) | 2,3-DIHYDROXY-BENZOIC ACID | non-polymer | 154.1 | 1 | Chemie (DBH) | |||
| 7 | L, M (C) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 8 | N (C) | N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({N-[(2,3-dihydroxyphenyl)carbonyl]-L-seryl}oxy)propanoyl]-D-serine | non-polymer | 687.6 | 1 | Chemie (MCJ) | |||
| 9 | O, P, Q (A, B, C) | water | water | 18.0 | 100 | Chemie (HOH) |
Sequence modifications
A, B, C: -19 - 178 (UniProt: P80188)
| PDB | External Database | Details |
|---|---|---|
| Ser 87 | Cys 107 | engineered mutation |
| Ala 134 | Lys 154 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 67619.6 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 2265.3 | |
| All* | Total formula weight | 69884.8 |
