Structure of PDB 6g74 Chain B Binding Site BS02

Receptor Information
>6g74 Chain B (length=304) Species: 243274 (Thermotoga maritima MSB8) [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 IDPHT
InChIInChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKeyXNGIFLGASWRNHJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccccc1C(O)=O
ACDLabs 10.04O=C(O)c1ccccc1C(=O)O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)C(=O)O
FormulaC8 H6 O4
NamePHTHALIC ACID
ChEMBLCHEMBL1045
DrugBankDB02746
ZINCZINC000000090750
PDB chain6g74 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6g74 Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H19 F21 D35 S36 N109 H193 T210
Binding residue
(residue number reindexed from 1)		H25 F27 D41 S42 N115 H199 T216
Annotation score2
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:6g74, PDBe:6g74, PDBj:6g74
PDBsum6g74
PubMed29641168
UniProtQ9X1X7|NADA_THEMA Quinolinate synthase (Gene Name=nadA)

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