Structure of PDB 4iok Chain B Binding Site BS02

Receptor Information
>4iok Chain B (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 chain4iok Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iok Time passes yet errors remain: Comments on the structure of N(10) -formyltetrahydrofolate synthetase.
Resolution2.497 Å
Binding residue
(original residue number in PDB)		P67 K74 R97 K108 F304
Binding residue
(residue number reindexed from 1)		P65 K72 R95 K106 F302
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4iok, PDBe:4iok, PDBj:4iok
PDBsum4iok
PubMed23533144
UniProtQ2RM91|FTHS_MOOTA Formate--tetrahydrofolate ligase (Gene Name=fhs)

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