Structure of PDB 6wkb Chain B Binding Site BS03

Receptor Information
>6wkb Chain B (length=380) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMI
LLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSP
DIAQGVHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLA
ELRRNGTLPWLRPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCL
DEMRDALKEKVIKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRK
IIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVL
VQVSYAIGVSHPLSISIFHYGTSQKSERELLEIVKKNFDLRPGVIVRDLD
LKKPIYQRTAAYGHFGRDSFPWEVPKKLKY
Ligand information
Ligand IDU4P
InChIInChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6-,7-,8-/m1/s1
InChIKeyWUBAOANSQGKRHF-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O
CACTVS 3.385C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
CACTVS 3.385C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
ACDLabs 12.01O=C1NC(=O)C=CN1C2C(C(C(O2)C)O)O
OpenEye OEToolkits 2.0.7C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O
FormulaC9 H12 N2 O5
Name5'-deoxyuridine
ChEMBLCHEMBL3250647
DrugBank
ZINCZINC000006490943
PDB chain6wkb Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wkb S-adenosylmethionine synthetase
Resolution2.55 Å
Binding residue
(original residue number in PDB)		H29 D179 K181 S247 F250
Binding residue
(residue number reindexed from 1)		H14 D164 K166 S232 F235
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.6: methionine adenosyltransferase.
Gene Ontology
Molecular Function
GO:0004478 methionine adenosyltransferase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0036094 small molecule binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006556 S-adenosylmethionine biosynthetic process
GO:0006730 one-carbon metabolic process
GO:0034214 protein hexamerization
GO:0051291 protein heterooligomerization
GO:0061431 cellular response to methionine
GO:1904263 positive regulation of TORC1 signaling
GO:1990830 cellular response to leukemia inhibitory factor
Cellular Component
GO:0005829 cytosol
GO:0048269 methionine adenosyltransferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wkb, PDBe:6wkb, PDBj:6wkb
PDBsum6wkb
PubMed
UniProtP31153|METK2_HUMAN S-adenosylmethionine synthase isoform type-2 (Gene Name=MAT2A)

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