Structure of PDB 1xr2 Chain A Binding Site BS02

Receptor Information
>1xr2 Chain A (length=715) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FTKAYAFGFPKIGEKREFKKALEDFWKGKITEEQFEEEMNKLRMYMVENY
RKNVDVIPSNELSYYDFVLDTAVMVGAVPERFGEYRGLSTYFDMARGGKA
LEMTKFFNTNYHYLVPEIETEEFYLLENKPLEDYLFFKSKGIETAPWVIG
PFTFLYLSKRNGEWIRRPNQMEKLLESLVSVYKEVFEKLVENGCKEILVN
EPAFVCDLEKAHWDLILNVYRELSEFPLTVFTYYDSVSDYEACVSLPVKR
LHFDFVSNEENLKNLEKHGFPEDKKLVAGVINGRQPWKVDLRKVASLVEK
LGASAISNSCPLFHLPVTLELENNLPGGLKEKLAFAKEKLEELKMLKDFL
EGKTDFAVDLQAVERVRNPEDSFRREKEYTERDRIQRERLNLPLFPTTTI
GSFPQTPEVRKMRSKISKEEYEAFIKEQIKKAIELQEEIGLDVLVHGEFE
RTDMVEFFAEKLNGIATTQNGWVLSYGSRCYRPPIIYGTVTRPEPMTLKE
ITYAQSLTEKPVKGMLTGPVTIMSWSYYREDIPEREIAYQIALAINEEVK
DLEEAGIKIVQIDEPAFREKAPIKKSKWPEYFEWAINAFNLAANARPETQ
IHAHMCYSDFNEIIEYIHQLEFDVISIEASRSKGEIISAFENFKGWIKQI
GVGVWDIHSPAVPSINEMREIVERVLRVLPKELIWINPDCGLKTRNWDEV
IPSLRNMVALAKEMR
Ligand information
Ligand IDMRY
InChIInChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
InChIKeyUNXHWFMMPAWVPI-ZXZARUISSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)CO
OpenEye OEToolkits 1.5.0C(C(C(CO)O)O)O
ACDLabs 10.04OCC(O)C(O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](CO)O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)CO
FormulaC4 H10 O4
NameMESO-ERYTHRITOL
ChEMBLCHEMBL349605
DrugBankDB04481
ZINCZINC000017971067
PDB chain1xr2 Chain A Residue 1205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xr2 Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication
Resolution2.35 Å
Binding residue
(original residue number in PDB)		F106 L156 C205 I587
Binding residue
(residue number reindexed from 1)		F107 L157 C206 I573
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:1xr2, PDBe:1xr2, PDBj:1xr2
PDBsum1xr2
PubMed15630480
UniProtQ9X112|METE_THEMA 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase (Gene Name=metE)

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