Structure of PDB 6ora Chain B Binding Site BS01

Receptor Information

>6ora Chain B (length=298) Species: 70601 (Pyrococcus horikoshii OT3)

DLVEEILRLKEERNAIILAHNYQLPEVQDIADFIGDSLELARRATRVDAD
VIVFAGVDFMAETAKILNPDKVVLIPSREATCAMANMLKVEHILEAKRKY
PNAPVVLYVNSTAEAKAYADVTVTSANAVEVVKKLDSDVVIFGPDKNLAH
YVAKMTGKKIIPVPSKGHCYVHQKFTLDDVERAKKLHPNAKLMIHPQCIP
EVQEKADIIASTGGMIKRACEWDEWVVFTEREMVYRLRKLYPQKKFYPAR
EDAFCIGMKAITLKNIYESLKDMKYKVEVPEEIARKARKAIERMLEMS

Ligand information

• Ligand ID: SF4
• InChI: InChI=1S/4Fe.4S
• InChIKey: LJBDFODJNLIPKO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
  CACTVS 3.385: S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
• Formula: Fe4 S4
• Name: IRON/SULFUR CLUSTER
• PDB chain: 6ora Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ora An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): Y23 C83 C170 V172 C256
• Binding residue (residue number reindexed from 1): Y22 C82 C169 V171 C255
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.72: quinolinate synthase.

Gene Ontology

Molecular Function

• GO:0008987 quinolinate synthetase A activity
• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
• GO:0046872 metal ion binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0009435 NAD biosynthetic process
• GO:0019363 pyridine nucleotide biosynthetic process
• GO:0019805 quinolinate biosynthetic process
• GO:0034628 'de novo' NAD biosynthetic process from aspartate

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6ora, PDBe:6ora, PDBj:6ora
• PDBsum: 6ora
• PubMed: 31390192
• UniProt: O57767|NADA_PYRHO Quinolinate synthase (Gene Name=nadA)