Structure of PDB 6f4d Chain A Binding Site BS04

Receptor Information
>6f4d Chain A (length=304) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHHMVDEILKLKKEKGYIILAHNFQIPELQDIADFVGDSLQLARKAM
ELSEKKILFLGVDFMAELVKILNPDKKVIVPDRSATCPMANRLTPEIIRE
YREKFPDAPVVLYVNSTSECKTLADVICTSANAVEVVKKLDSSVVIFGPD
RNLGEYVAEKTGKKVITIPENGHCPVHQFNAESIDAVRKKYPDAKVIVHP
ECPKPVRDKADYVGSTGQMEKIPERDPSRIFVIGTEIGMIHKLKKKFPDR
EFVPLEMAVCVNMKKNTLENTLHALQTESFEVILPKEVIEKAKKPILRMF
ELMG
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain6f4d Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6f4d Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R41 K215
Binding residue
(residue number reindexed from 1)		R47 K221
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:6f4d, PDBe:6f4d, PDBj:6f4d
PDBsum6f4d
PubMed29641168
UniProtQ9X1X7|NADA_THEMA Quinolinate synthase (Gene Name=nadA)

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