Structure of PDB 1u1j Chain A Binding Site BS04

Receptor Information
>1u1j Chain A (length=746) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASHIVGYPRMGPKRELKFALESFWDGKSTAEDLQKVSADLRSSIWKQMSA
AGTKFIPSNTFAHYDQVLDTTAMLGAVPPRYGYTGGEIGLDVYFSMARGN
ASVPAMEMTKWFDTNYHYIVPELGPEVNFSYASHKAVNEYKEAKALGVDT
VPVLVGPVSYLLLSKAAKGVDKSFELLSLLPKILPIYKEVITELKAAGAT
WIQLDEPVLVMDLEGQKLQAFTGAYAELESTLSGLNVLVETYFADIPAEA
YKTLTSLKGVTAFGFDLVRGTKTLDLVKAGFPEGKYLFAGVVDGRNIWAN
DFAASLSTLQALEGIVGKDKLVVSTSCSLLHTAVDLINETKLDDEIKSWM
AFAAQKVVEVNALAKALAGQKDEALFSANAAALASRRSSPRVTNEGVQKA
AAALKGSDHRRATNVSARLDAQQKKLNLPILPTTTIGSFPQTVELREDYV
KAIKEEIKKVVDLQEELDIDVLVHGEPERNDMVEYFGEQLSGFAFTANGW
VQSYGSRCVKPPVIYGDVSRPKAMTVFWSAMAQSMTSRPMKGMLTGPVTI
LNWSFVRNDQPRHETCYQIALAIKDEVEDLEKGGIGVIQIDEAALREGLP
LRKSEHAFYLDWAVHSFRITNCGVQDSTQIHTHMCYSHFNDIIHSIIDMD
ADVITIENSRSDEKLLSVFREGVKYGAGIGPGVYDIHSPRIPSSEEIADR
VNKMLAVLEQNILWVNPDCGLKTRKYTEVKPALKNMVDAAKLIRSQ
Ligand information
Ligand IDC2F
InChIInChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
InChIKeyZNOVTXRBGFNYRX-STQMWFEESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CN1[CH](CNc2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O)CNC3=C1C(=O)NC(=N3)N
ACDLabs 10.04O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C)CCC(=O)O
OpenEye OEToolkits 1.5.0CN1C(CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
OpenEye OEToolkits 1.5.0C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
CACTVS 3.341CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC3=C1C(=O)NC(=N3)N
FormulaC20 H25 N7 O6
Name5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID
ChEMBLCHEMBL1231574
DrugBankDB11256
ZINCZINC000002005305
PDB chain1u1j Chain A Residue 773 [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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PDB1u1j Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K18 S517 R521 C522 V523 W567
Binding residue
(residue number reindexed from 1)		K17 S503 R507 C508 V509 W553
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.14: 5-methyltetrahydropteroyltriglutamate--homocysteine S-methyltransferase.
Gene Ontology
Molecular Function
GO:0003729 mRNA binding
GO:0003871 5-methyltetrahydropteroyltriglutamate-homocysteine S-methyltransferase activity
GO:0005507 copper ion binding
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0008172 S-methyltransferase activity
GO:0008270 zinc ion binding
GO:0008705 methionine synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0006346 DNA methylation-dependent heterochromatin formation
GO:0008652 amino acid biosynthetic process
GO:0009086 methionine biosynthetic process
GO:0010043 response to zinc ion
GO:0032259 methylation
GO:0071266 'de novo' L-methionine biosynthetic process
Cellular Component
GO:0000325 plant-type vacuole
GO:0005737 cytoplasm
GO:0005777 peroxisome
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009506 plasmodesma
GO:0009507 chloroplast
GO:0009570 chloroplast stroma
GO:0048046 apoplast

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1u1j, PDBe:1u1j, PDBj:1u1j
PDBsum1u1j
PubMed15326182
UniProtO50008|METE1_ARATH 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase 1 (Gene Name=MS1)

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