Structure of PDB 4a6d Chain A Binding Site BS01

Receptor Information
>4a6d Chain A (length=345) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGSSEDQAYRLLNDYANGFMVSQVLFAACELGVFDLLAEAPGPLDVAAVA
AGVRASAHGTELLLDICVSLKLLKVETRGGKAFYRNTELSSDYLTTVSPT
SQCSMLKYMGRTSYRCWGHLADAVREGRNQYLETFGVPAEELFTAIYRSE
GERLQFMQALQEVWSVNGRSVLTAFDLSVFPLMCDLGGGAGALAKECMSL
YPGCKITVFDIPEVVWTAKQHFSFEEQIDFQEGDFFKDPLPEADLYILAR
VLHDWADGKCSHLLERIYHTCKPGGGILVIESLLDEDRRGPLLTQLYSLN
MLVQTEGQERTPTHYHMLLSSAGFRDFQFKKTGAIYDAILARKGT
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 chain4a6d Chain A Residue 1348 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4a6d Crystal Structure and Functional Mapping of Human Asmt, the Last Enzyme of the Melatonin Synthesis Pathway.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E267 H271
Binding residue
(residue number reindexed from 1)		E265 H269
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H255 D256 E283 E311
Catalytic site (residue number reindexed from 1) H253 D254 E281 E309
Enzyme Commision number 2.1.1.4: acetylserotonin O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
GO:0008172 S-methyltransferase activity
GO:0017096 acetylserotonin O-methyltransferase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0006412 translation
GO:0006629 lipid metabolic process
GO:0030187 melatonin biosynthetic process
GO:0032259 methylation
GO:0046219 indolalkylamine biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4a6d, PDBe:4a6d, PDBj:4a6d
PDBsum4a6d
PubMed22775292
UniProtP46597|ASMT_HUMAN Acetylserotonin O-methyltransferase (Gene Name=ASMT)

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