Structure of PDB 4m3p Chain B Binding Site BS02

Receptor Information
>4m3p Chain B (length=373) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAKKGILERLNAGEIVIGDGGFVFALEKRGYVKAGPWTPEAAVEHPEAVR
QLHREFLRAGSNVMQTFTFYSGQEVNEAACDIARQVADEGDALVAGGVSQ
TPSETEVKKVFLQQLEVFMKKNVDFLIAEYFEHVEEAVWAVETLIASGKP
VAATMCIGPEGDLHGVPPGECAVRLVKAGASIIGVNCHFDPTISLKTVKL
MKEGLEAAQLKAHLMSQPLAYHTPDCNKQGFIDLPEFPFGLEPRVATRWD
IQKYAREAYNLGVRYIGGCCGFEPYHIRAIAEELAPERGFLPPASEKHGS
WGSGLDMHTKPWVRARARKEYWENLRIASGRPYNPSMSKPDGWGVTKGTA
ELMQQKEATTEQQLKELFEKQKF
Ligand information
Ligand IDK
InChIInChI=1S/K/q+1
InChIKeyNPYPAHLBTDXSSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[K+]
FormulaK
NamePOTASSIUM ION
ChEMBLCHEMBL1233793
DrugBankDB01345
ZINC
PDB chain4m3p Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4m3p Specific potassium ion interactions facilitate homocysteine binding to betaine-homocysteine S-methyltransferase.
Resolution1.895 Å
Binding residue
(original residue number in PDB)		D26 G27 Q72 Q247 G298 C299
Binding residue
(residue number reindexed from 1)		D19 G20 Q65 Q217 G268 C269
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.5: betaine--homocysteine S-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008172 S-methyltransferase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
GO:0047150 betaine-homocysteine S-methyltransferase activity
Biological Process
GO:0006479 protein methylation
GO:0006577 amino-acid betaine metabolic process
GO:0006579 amino-acid betaine catabolic process
GO:0009086 methionine biosynthetic process
GO:0032259 methylation
GO:0046500 S-adenosylmethionine metabolic process
GO:0050666 regulation of homocysteine metabolic process
GO:0071266 'de novo' L-methionine biosynthetic process
GO:0071267 L-methionine salvage
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4m3p, PDBe:4m3p, PDBj:4m3p
PDBsum4m3p
PubMed24895213
UniProtQ93088|BHMT1_HUMAN Betaine--homocysteine S-methyltransferase 1 (Gene Name=BHMT)

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