Structure of PDB 6kkh Chain C Binding Site BS01

Receptor Information

>6kkh Chain C (length=343) Species: 383372 (Roseiflexus castenholzii DSM 13941)

MKLPIHFYKPLAAGAPQPIRELPVRPERVIHFFPPHVEKIRARIPEVAKQ
VDVLCGNLEDAIPIDAKEAARAGFIEVARNTDFGDTALWVRVNALNSPWV
LDDIADIVATVGNKLDVMMIPKVEGPWDIHFVDQYLALLEAKHQIQKPIL
IHALLETAQGMMNLEAIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHP
FYGVLADPQERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEAA
CEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILDAMPD
GSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPELAQAYGF

Ligand information

• Ligand ID: OXL
• InChI: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
• InChIKey: MUBZPKHOEPUJKR-UHFFFAOYSA-L
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-]C(=O)C([O-])=O
  OpenEye OEToolkits 1.5.0: C(=O)(C(=O)[O-])[O-]
• Formula: C2 O4
• Name: OXALATE ION
• PDB chain: 6kkh Chain C Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6kkh The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
• Resolution: 2.64 Å
• Binding residue (original residue number in PDB): R91 E156 G180 A182 D183
• Binding residue (residue number reindexed from 1): R91 E156 G180 A182 D183
• Annotation score: 3

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006107 oxaloacetate metabolic process

External links

• PDB: RCSB:6kkh, PDBe:6kkh, PDBj:6kkh
• PDBsum: 6kkh
• PubMed: 31405562
• UniProt: A7NHT0