Structure of PDB 5yf0 Chain B Binding Site BS02

Receptor Information
>5yf0 Chain B (length=351) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERLEREHFWKIINAFRYYGTSMHERVNRTERQFRSLPANQQKLLPQFLLH
LDKIRKCIDHNQEILLTIVNDCIHMFENKEYGEDGNGKIMPASTFDMDKL
KSTLKQFVRDWSETGKAERDACYQPIIKEILKNFPKERWDPSKVNILVPG
AGLGRLAWEIAMLGYACQGNEWSFFMLFSSNFVLNRCSEINKYKLYPWIH
QFSNNRRSADQIRPIFFPDVDPHSLPPGSNFSMTAGDFQEIYSECNTWDC
IATCFFIDTAHNVIDYIDTIWKILKPGGIWINLGPLLYHFENLANELSIE
LSYEDIKNVVLQYGFKVEVEKESVLSTYTVNDLSMMKYYYECVLFVVRKP
Q
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5yf0 Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5yf0 Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		S246 D279
Binding residue
(residue number reindexed from 1)		S188 D221
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.22: carnosine N-methyltransferase.
Gene Ontology
Molecular Function
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:5yf0, PDBe:5yf0, PDBj:5yf0
PDBsum5yf0
PubMed29463897
UniProtQ8N4J0|CARME_HUMAN Carnosine N-methyltransferase (Gene Name=CARNMT1)

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