Structure of PDB 7p4m Chain A Binding Site BS02

Receptor Information
>7p4m Chain A (length=303) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHMVDEILKLKKEKGYIILAHNYQIPELQDIADFVGDSLQLARKAME
LSEKKILFLGVDFMAELVKILNPDKKVIVPDRSATCPMANRLTPEIIREY
REKFPDAPVVLFVNSTSECKTLADVICTSANAVEVVKKLDSSVVIFGPDR
NLGEYVAEKTGKKVITIPENGHCPVHQFNAESIDAVRKKYPDAKVIVHPE
CPKPVRDKADYVGSTGQMEKIPERDPSRIFVIGTEIGMIHKLKKKFPDRE
FVPLEMAVCVNMKKNTLENTLHALQTESFEVILPKEVIEKAKKPILRMFE
LMG
Ligand information
Ligand IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7p4m Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p4m Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		C81 C168 V170 C254
Binding residue
(residue number reindexed from 1)		C86 C173 V175 C259
Annotation score1
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
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7p4m, PDBe:7p4m, PDBj:7p4m
PDBsum7p4m
PubMed34609124
UniProtQ9X1X7|NADA_THEMA Quinolinate synthase (Gene Name=nadA)

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