Structure of PDB 4jjz Chain B Binding Site BS03

Receptor Information
>4jjz Chain B (length=552) Species: 264732 (Moorella thermoacetica ATCC 39073) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIEIAQAAKMKPVMELARGLGIQEDEVELYGKYKAKISLDVYRRLKDKPD
GKLILVTAITPTPAGEGKTTTSVGLTDALARLGKRVMVCLREPSLGPSFG
IKGGAAGGGYAQVVPMEDINLHFTGDIHAVTYAHNLLAAMVDNHLQQGNV
LNIDPRTITWRRVIDLNDRALRNIVIGLGGKANGVPRETGFDISVASEVM
ACLCLASDLMDLKERFSRIVVGYTYDGKPVTAGDLEAQGSMALLMKDAIK
PNLVQTLENTPAFIHGGPFANIAHGCNSIIATKTALKLADYVVTEAGFGA
DLGAEKFYDVKCRYAGFKPDATVIVATVRALKMHGGVPKSDLATENLEAL
REGFANLEKHIENIGKFGVPAVVAINAFPTDTEAELNLLYELCAKAGAEV
ALSEVWAKGGEGGLELARKVLQTLESRPSNFHVLYNLDLSIKDKIAKIAT
EIYGADGVNYTAEADKAIQRYESLGYGNLPVVMAKTQYSFSDDMTKLGRP
RNFTITVREVRLSAGAGFIVPITGAIMTMPGLPKRPAACNIDIDADGVIT
GL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4jjz Chain B Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jjz Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T75 E301
Binding residue
(residue number reindexed from 1)		T69 E295
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) K68 T70 R91 K102 A270 F298 F378 W406
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:4jjz, PDBe:4jjz, PDBj:4jjz
PDBsum4jjz
PubMed22109967
UniProtQ2RM91|FTHS_MOOTA Formate--tetrahydrofolate ligase (Gene Name=fhs)

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