3T1D
The mutant structure of human Siderocalin W79A, R81A, Y106F bound to 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 | 22380.7 | 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, G, I, J, M... (A, B, C) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 3 | E, F, H (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 4 | K (A) | O-[(2S)-2-amino-3-hydroxypropanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine | non-polymer | 328.3 | 1 | Chemie (TD1) | |||
| 5 | L (A) | UNKNOWN LIGAND | non-polymer | 1 | Chemie (UNX) | ||||
| 6 | O, Q (B, C) | 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID | non-polymer | 241.2 | 2 | Chemie (DBS) | |||
| 7 | P (B) | 2,3-DIHYDROXY-BENZOIC ACID | non-polymer | 154.1 | 1 | Chemie (DBH) | |||
| 8 | S, T, U (A, B, C) | water | water | 18.0 | 259 | Chemie (HOH) |
Sequence modifications
A, B, C: -19 - 178 (UniProt: P80188)
| PDB | External Database | Details |
|---|---|---|
| Ala 79 | Trp 99 | engineered mutation |
| Ala 81 | Arg 101 | engineered mutation |
| Ser 87 | Cys 107 | SEE REMARK 999 |
| Phe 106 | Tyr 126 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 67142.1 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1715.8 | |
| All* | Total formula weight | 68858.0 |
