Structure of PDB 1lt8 Chain B Binding Site BS01

Receptor Information
>1lt8 Chain B (length=340) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGILERLNAGEIVIGDGGFVFALEKRGYVKAGPWTPEAAVEHPEAVRQLH
REFLRAGSNVMQTFTFYASEAAADIARQVADEGDALVAGGVSQTPSYLSA
KSETEVKKVFLQQLEVFMKKNVDFLIAEYFEHVEEAVWAVETLIASGKPV
AATMAIGPEGDLHGVPPGEAAVRLVKAGASIIGVNCHFDPTISLKTVKLM
KEGLEAAQLKAHLMSQPLAYHTPDANKQGFIDLPEFPFGLEPRVATRWDI
QKYAREAYNLGVRYIGGCCGFEPYHIRAIAEELAPERGFLPPASEKHGSW
GSGLDMHTKPWVRARARKEYWENLRIASGRPYNPSMSKPD
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1lt8 Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lt8 Betaine-homocysteine methyltransferase: zinc in a distorted barrel.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		C217 C300
Binding residue
(residue number reindexed from 1)		C186 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1lt8, PDBe:1lt8, PDBj:1lt8
PDBsum1lt8
PubMed12220488
UniProtQ93088|BHMT1_HUMAN Betaine--homocysteine S-methyltransferase 1 (Gene Name=BHMT)

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