Structure of PDB 3fst Chain C Binding Site BS02

Receptor Information
>3fst Chain C (length=265) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QINVSFEFFPPRTSEMEQTLWNSIDRLSSLKPKFVSVTYGANSGERDRTH
SIIKGIKDRTGLEAAPHLTCIDATPDELRTIARDYWNNGIRHIVALRGDE
MYASDLVTLLKEVADFDISVAAYPEVHPEAKSAQADLLNLKRKVDAGANR
AITQFFFDVESYLRFRDRCVSAGIDVEIIPGILPVSNFKQAKKLADMTNV
RIPAWMAQMFDGLDDDAETRKLVGANIAMDMVKILSREGVKDFHFYTLNR
AEMSYAICHTLGVRP
Ligand information
Ligand IDMRY
InChIInChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
InChIKeyUNXHWFMMPAWVPI-ZXZARUISSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)CO
OpenEye OEToolkits 1.5.0C(C(C(CO)O)O)O
ACDLabs 10.04OCC(O)C(O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](CO)O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)CO
FormulaC4 H10 O4
NameMESO-ERYTHRITOL
ChEMBLCHEMBL349605
DrugBankDB04481
ZINCZINC000017971067
PDB chain3fst Chain C Residue 5321 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fst Functional role for the conformationally mobile phenylalanine 223 in the reaction of methylenetetrahydrofolate reductase from Escherichia coli.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		E28 Q183 F184 Y275
Binding residue
(residue number reindexed from 1)		E7 Q154 F155 Y246
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S26 E28 D120 L223 H273
Catalytic site (residue number reindexed from 1) S5 E7 D99 L194 H244
Enzyme Commision number 1.5.1.54: methylenetetrahydrofolate reductase (NADH).
Gene Ontology
Molecular Function
GO:0004489 methylenetetrahydrofolate reductase (NAD(P)H) activity
GO:0016491 oxidoreductase activity
GO:0051087 protein-folding chaperone binding
GO:0071949 FAD binding
GO:0106312 methylenetetrahydrofolate reductase (NADH) activity
Biological Process
GO:0006555 methionine metabolic process
GO:0009086 methionine biosynthetic process
GO:0035999 tetrahydrofolate interconversion
Cellular Component
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3fst, PDBe:3fst, PDBj:3fst
PDBsum3fst
PubMed19610625
UniProtP0AEZ1|METF_ECOLI 5,10-methylenetetrahydrofolate reductase (Gene Name=metF)

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