3S42
Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | B, A | 3-dehydroquinate dehydratase | polymer | 276 | 30101.3 | 2 | UniProt (P58687) Pfam (PF01487) In PDB | Salmonella enterica subsp. enterica serovar Typhimurium | 3-dehydroquinase, Type I DHQase |
2 | B, A | MALONIC ACID | non-polymer | 104.1 | 2 | Chemie (MLA) | |||
3 | B, A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 6 | Chemie (DMS) | |||
4 | B | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
5 | B | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
6 | A | BORIC ACID | non-polymer | 61.8 | 1 | Chemie (BO3) | |||
7 | water | water | 18.0 | 563 | Chemie (HOH) |
Sequence modifications
B, A: 1 - 252 (UniProt: P58687)
PDB | External Database | Details |
---|---|---|
Met -23 | - | expression tag |
His -22 | - | expression tag |
His -21 | - | expression tag |
His -20 | - | expression tag |
His -19 | - | expression tag |
His -18 | - | expression tag |
His -17 | - | expression tag |
Ser -16 | - | expression tag |
Ser -15 | - | expression tag |
Gly -14 | - | expression tag |
Val -13 | - | expression tag |
Asp -12 | - | expression tag |
Leu -11 | - | expression tag |
Gly -10 | - | expression tag |
Thr -9 | - | expression tag |
Glu -8 | - | expression tag |
Asn -7 | - | expression tag |
Leu -6 | - | expression tag |
Tyr -5 | - | expression tag |
Phe -4 | - | expression tag |
Gln -3 | - | expression tag |
Ser -2 | - | expression tag |
Asn -1 | - | expression tag |
Ala 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 60202.6 | |
Non-Polymers* | Number of molecules | 11 |
Total formula weight | 866.5 | |
All* | Total formula weight | 61069.1 |