Structure of PDB 3p0w Chain D Binding Site BS01

Receptor Information

>3p0w Chain D (length=425) Species: 402626 (Ralstonia pickettii 12J)

THTPRVTEMQVIPVAGRDSMLLNLCGAHAPFFTRNLVILKDNAGRTGVGE
VPGGEGIRQALERVIPLVVGQSIGRTNGVLSSIRRALARMDNVITAVEAA
LLDLLGQFLEVPVAELLGAGQQRDSAPMLAYLFYVGDRRKTDLPYLEGAN
GADDWLRLRHEAAMTPAAIARLAEAATERYGFADFKLKGGVMPGAEEMEA
IAAIKARFPHARVTLDPNGAWSLNEAIALCKGQGHLVAYAEDPCGPEAGY
SGREVMAEFKRATGIPTATNMIATDWRQMGHAVQLHAVDIPLADPHFWTM
QGSVRVAQLCDEWGLTWGSHSNNHFDVSLAMFTHVAAAAPGNITAIDTHW
IWQEAQERLTREPLRIQGGHVAVPERPGLGIEIDMDRVMAAHALYKTLGP
GARDDAMAMQYLVPGWTYDPKRPSL

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3p0w Chain D Residue 471

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3p0w Crystal structure of D-Glucarate dehydratase from Ralstonia solanacearum complexed with Mg and D-glucarate
• Resolution: 1.71 Å
• Binding residue (original residue number in PDB): D251 E276 N305
• Binding residue (residue number reindexed from 1): D216 E241 N270
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K221 K223 D251 N253 E276 N305 D329 H355 N357
• Catalytic site (residue number reindexed from 1): K186 K188 D216 N218 E241 N270 D294 H320 N322
• Enzyme Commision number: 4.2.1.40: glucarate dehydratase.

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:3p0w, PDBe:3p0w, PDBj:3p0w
• PDBsum: 3p0w
• UniProt: B2UIZ1