Structure of PDB 2plm Chain A Binding Site BS01

Receptor Information
>2plm Chain A (length=404) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIIGNCLILKDFSSEPFWGAVEIENGTIKRVLQGEVKVDLDLSGKLVMPA
LFNTHTHAPMTLLRGVAEDLSFEEWLFSKVLPIEDRLTEKMAYYGTILAQ
MEMARHGIAGFVDMYFHEEWIAKAVRDFGMRALLTRGLVDSNGDDGGRLE
ENLKLYNEWNGFEGRIFVGFGPHSPYLCSEEYLKRVFDTAKSLNAPVTIH
LYETSKEEYDLEDILNIGLKEVKTIAAHCVHLPERYFGVLKDIPFFVSHN
PASNLKLGNGIAPVQRMIEHGMKVTLGTDGAASNNSLNLFFEMRLASLLQ
KAQNPRNLDVNTCLKMVTYDGAQAMGFKSGKIEEGWNADLVVIDLDLPEM
FPVQNIKNHLVHAFSGEVFATMVAGKWIYFDGEYPTIDSEEVKRELARIE
KELY
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 chain2plm Chain A Residue 407 [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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PDB2plm Structure-based activity prediction for an enzyme of unknown function
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H55 H57 H200 D279
Binding residue
(residue number reindexed from 1)		H55 H57 H200 D279
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.28: S-adenosylhomocysteine deaminase.
3.5.4.31: S-methyl-5'-thioadenosine deaminase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0016814 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
GO:0019239 deaminase activity
GO:0046872 metal ion binding
GO:0050270 S-adenosylhomocysteine deaminase activity
GO:0090614 5'-methylthioadenosine deaminase activity

View graph for
Molecular Function
External links
PDB RCSB:2plm, PDBe:2plm, PDBj:2plm
PDBsum2plm
PubMed17603473
UniProtQ9X034|MTAD_THEMA 5-methylthioadenosine/S-adenosylhomocysteine deaminase (Gene Name=mtaD)

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