Structure of PDB 4kem Chain A Binding Site BS01

Receptor Information

>4kem Chain A (length=390) Species: 137722 (Azospirillum sp. B510)

MRIVEIREQTAGIKSDIANAFIDFSQMTCSVVAVVTDVVRDGKPVIGYGF
NSNGRYAAGGLLRERFIPRLMSAAPDSLLDETGENLDPFRIWTRLMTNEK
PGGHGERSVAVGTIDMAVWDAVAKIAGVPLYRLLADRFRGGVADDGVWVY
AAGGYYYPGKDVKALQDEMRSYRDRGYRVVKMKIGGAPLAEDLRRIDAVL
EVVGSGDNLCVDANGRFDIDTAIAYGEALKPYGLFWYEEAGDPLDYALQA
ELAKHYDRPMATGENLFSHQDARNLIRHGGMRPDRDWLQFDCALSYGLVE
YLRTLDMLKENGWSSRRVVPHGGHQMSLNIAAGLHLGGNESYPDVFKPFC
GFADGIAVEDGRVRLPDLPGVGFEAKSELFATMSGLLGTR

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: 4kem Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4kem Crystal structure of a tartrate dehydratase from azospirillum, target efi-502395, with bound mg and a putative acrylate ion, ordered active site
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): D212 E238 E264
• Binding residue (residue number reindexed from 1): D212 E238 E264
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N53 A152 K181 K183 V211 D212 A213 N214 E238 G263 E264 D284 Q289 D291 R316 H321 E340 K347
• Catalytic site (residue number reindexed from 1): N53 A152 K181 K183 V211 D212 A213 N214 E238 G263 E264 D284 Q289 D291 R316 H321 E340 K347

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0046872 metal ion binding
• GO:0047808 D(-)-tartrate dehydratase activity

External links

• PDB: RCSB:4kem, PDBe:4kem, PDBj:4kem
• PDBsum: 4kem
• UniProt: D3P639