Structure of PDB 3vc6 Chain A Binding Site BS01

Receptor Information

>3vc6 Chain A (length=420) Species: 469371 (Thermobispora bispora DSM 43833)

SMLIREVRVTPVAFRDPPLLNAAGVHQPWALRTIVEVVTDEGITGLGETY
GDLAHLEQVRAAAARLPGLDVYALHRIYRRVADVVGANIVTDMHGLTGSS
SRVKTVDRVFAAFEVACLDIQGKAAGRPVADLLGGKVRDAVPYSAYLFYK
WAGHPGKPEDRFGPALDPDGIVAQARLLIGEYGFRSIKLKGGVFPPEQEA
EAIQALRDAFPGLPLRLDPNAAWTVETSIRVGRALDGVLEYLEDPTPGID
GMARVAAEVPMPLATNMCVVTPEHLPAAVERRPIGVLLIDHHYWGGLVRS
AHIATLCATFGIELSMHSNSHLGISLAAMTHLAAATPAITHACDTHTPWQ
DGQDVVAPGALRFVDGAVPVPDGPGLGVELDRDALAVMHEQYERCGIRTR
DDEGYMRSFDPSFSTRRGFW

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: 3vc6 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vc6 Crystal structure of enolase Tbis_1083 FROM Thermobispora bispora DSM 43833
• Resolution: 1.64 Å
• Binding residue (original residue number in PDB): D217 E242 N265
• Binding residue (residue number reindexed from 1): D218 E243 N266
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D51 H54 Y145 K187 K189 D217 N219 E242 N265 M266 D289 H316 S317 N318 H320 C342 D343
• Catalytic site (residue number reindexed from 1): D52 H55 Y146 K188 K190 D218 N220 E243 N266 M267 D290 H317 S318 N319 H321 C343 D344
• Enzyme Commision number: 4.2.1.40: glucarate dehydratase.

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:3vc6, PDBe:3vc6, PDBj:3vc6
• PDBsum: 3vc6
• UniProt: D6Y7Y6