Structure of PDB 3fvd Chain A Binding Site BS01

Receptor Information

>3fvd Chain A (length=361) Species: 89187 (Roseovarius nubinhibens ISM)

SLRITRLTVFHLDLPLAKPFDRLDSTYLRIDTDEGVTGWGEGCPWGHSYL
PAHGPGLRAGIATLAPHLLGLDPRSLDHVNRVMDLQLPGHSYVKSPIDMA
CWDILGQVAGLPLWQLLGGEAATPVPINSSISTGTPDQMLGLIAEAAAQG
YRTHSAKIGGSDPAQDIARIEAISAGLPDGHRVTFDVNRAWTPAIAVEVL
NSVRARDWIEQPCQTLDQCAHVARRVANPIMLDECLHEFSDHLAAWSRGA
CEGVKIKPNRVGGLTRARQIRDFGVSVGWQMHIEDVGGTALADTAALHLA
ASTPEANRLASWLGHAHLADDPIPGQGARNRDGLATPPSAPGLGVIPDPE
ALGRPVASYDE

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: 3fvd Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3fvd Crystal structure of a member of enolase superfamily from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D194 E218 D241 E242
• Binding residue (residue number reindexed from 1): D186 E210 D233 E234
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): S138 S163 K165 D194 N196 E218 D241 E242 K265 E292 D293 V294 A318 S319 W320
• Catalytic site (residue number reindexed from 1): S130 S155 K157 D186 N188 E210 D233 E234 K257 E284 D285 V286 A310 S311 W312

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:3fvd, PDBe:3fvd, PDBj:3fvd
• PDBsum: 3fvd
• UniProt: A3SNF7