6QMU
A tetrahedral boronic acid diester formed by a non-natural amino acid in the ligand pocket of an engineered lipocalin
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Neutrophil gelatinase-associated lipocalin | polymer | 188 | 21870.5 | 2 | UniProt (P80188) Pfam (PF00061) In PDB | Homo sapiens (Human) | NGAL,25 kDa alpha-2-microglobulin-related subunit of MMP-9,Lipocalin-2,Oncogene 24p3,Siderocalin,p25 |
2 | A, B | 3-nitrophenol | non-polymer | 139.1 | 2 | Chemie (ZCQ) | |||
3 | water | water | 18.0 | 96 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 178 (UniProt: P80188)
PDB | External Database | Details |
---|---|---|
His 28 | Gln 48 | engineered mutation |
7n8 36 | Leu 56 | engineered mutation |
Phe 52 | Tyr 72 | engineered mutation |
Ser 87 | Cys 107 | engineered mutation |
Trp 125 | Lys 145 | engineered mutation |
Asn 134 | Lys 154 | engineered mutation |
Ser 179 | - | expression tag |
Ala 180 | - | expression tag |
Trp 181 | - | expression tag |
Ser 182 | - | expression tag |
His 183 | - | expression tag |
Pro 184 | - | expression tag |
Gln 185 | - | expression tag |
Phe 186 | - | expression tag |
Glu 187 | - | expression tag |
Lys 188 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 43741.1 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 278.2 | |
All* | Total formula weight | 44019.3 |