Structure of PDB 1xdj Chain A Binding Site BS01

Receptor Information
>1xdj Chain A (length=722) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKAYAFGFPKIGEKREFKKALEDFWKGKITEEQFEEEMNKLRMYMVENYR
KNVDVIPSNELSYYDFVLDTAVMVGAVPERFGEYRGLSTYFDMARGGKAL
EMTKFFNTNYHYLVPEIETEEFYLLENKPLEDYLFFKSKGIETAPWVIGP
FTFLYLSKRNGEWIRRPNQMEKLLESLVSVYKEVFEKLVENGCKEILVNE
PAFVCDLEKAHWDLILNVYRELSEFPLTVFTYYDSVSDYEACVSLPVKRL
HFDFVSNEENLKNLEKHGFPEDKKLVAGVINGRQPWKVDLRKVASLVEKL
GASAISNSCPLFHLPVTLELENNLPGGLKEKLAFAKEKLEELKMLKDFLE
FEDFAVDLQAVERVRNPEDSFRREKEYTERDRIQRERLNLPLFPTTTIGS
FPQTPEVRKMRSKYRKGEISKEEYEAFIKEQIKKAIELQEEIGLDVLVHG
EFERTDMVEFFAEKLNGIATTQNGWVLSYGSRCYRPPIIYGTVTRPEPMT
LKEITYAQSLTEKPVKGMLTGPVTIMSWSYYREDIPEREIAYQIALAINE
EVKDLEEAGIKIVQIDEPAFREKAPIKKSKWPEYFEWAINAFNLAANARP
ETQIHAHMCYSDFNEIIEYIHQLEFDVISIEASRSKGEIISAFENFKGWI
KQIGVGVWDIHSPAVPSINEMREIVERVLRVLPKELIWINPDCGLKTRNW
DEVIPSLRNMVALAKEMREKFE
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 chain1xdj Chain A Residue 1051 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xdj Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H618 C620 C704
Binding residue
(residue number reindexed from 1)		H607 C609 C693
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.14: 5-methyltetrahydropteroyltriglutamate--homocysteine S-methyltransferase.
Gene Ontology
Molecular Function
GO:0003871 5-methyltetrahydropteroyltriglutamate-homocysteine S-methyltransferase activity
GO:0008168 methyltransferase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009086 methionine biosynthetic process
GO:0032259 methylation
GO:0071266 'de novo' L-methionine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1xdj, PDBe:1xdj, PDBj:1xdj
PDBsum1xdj
PubMed15630480
UniProtQ9X112|METE_THEMA 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase (Gene Name=metE)

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