Structure of PDB 4jki Chain A Binding Site BS02

Receptor Information
>4jki Chain A (length=557) Species: 264732 (Moorella thermoacetica ATCC 39073) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVPSDIEIAQAAKMKPVMELARGLGIQEDEVELYGKYKAKISLDVYRRLK
DKPDGKLILVTAITPTPAGEGKTTTSVGLTDALARLGKRVMVCLREPSLG
PSFGIKGGAAGGGYAQVVPMEDINLHFTGDIHAVTYAHNLLAAMVDNHLQ
QGNVLNIDPRTITWRRVIDLNDRALRNIVIGLGGKANGVPRETGFDISVA
SEVMACLCLASDLMDLKERFSRIVVGYTYDGKPVTAGDLEAQGSMALLMK
DAIKPNLVQTLENTPAFIHGGPFANIAHGCNSIIATKTALKLADYVVTEA
GFGADLGAEKFYDVKCRYAGFKPDATVIVATVRALKMHGGVPKSDLATEN
LEALREGFANLEKHIENIGKFGVPAVVAINAFPTDTEAELNLLYELCAKA
GAEVALSEVWAKGGEGGLELARKVLQTLESRPSNFHVLYNLDLSIKDKIA
KIATEIYGADGVNYTAEADKAIQRYESLGYGNLPVVMAKTQYSFSDDMTK
LGRPRNFTITVREVRLSAGAGFIVPITGAIMTMPGLPKRPAACNIDIDAD
GVITGLF
Ligand information
Ligand IDXPO
InChIInChI=1S/CH3O5P/c2-1-6-7(3,4)5/h1H,(H2,3,4,5)
InChIKeyTVISEJUYYBUVNV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(=O)OP(=O)(O)O
CACTVS 3.370O[P](O)(=O)OC=O
FormulaC H3 O5 P
Nameformyl phosphate
ChEMBL
DrugBank
ZINC
PDB chain4jki Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jki Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G73 K74 T75 T76
Binding residue
(residue number reindexed from 1)		G71 K72 T73 T74
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K74 T76 R97 K108 A276 F304 F384 W412
Catalytic site (residue number reindexed from 1) K72 T74 R95 K106 A274 F302 F382 W410
Enzyme Commision number 6.3.4.3: formate--tetrahydrofolate ligase.
Gene Ontology
Molecular Function
GO:0004329 formate-tetrahydrofolate ligase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006730 one-carbon metabolic process
GO:0035999 tetrahydrofolate interconversion

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Molecular Function
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Biological Process
External links
PDB RCSB:4jki, PDBe:4jki, PDBj:4jki
PDBsum4jki
PubMed22109967
UniProtQ2RM91|FTHS_MOOTA Formate--tetrahydrofolate ligase (Gene Name=fhs)

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