Structure of PDB 6wkb Chain A Binding Site BS01

Receptor Information
>6wkb Chain A (length=381) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGM
ILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQS
PDIAQGVHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKL
AELRRNGTLPWLRPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVC
LDEMRDALKEKVIKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGR
KIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRV
LVQVSYAIGVSHPLSISIFHYGTSQKSERELLEIVKKNFDLRPGVIVRDL
DLKKPIYQRTAAYGHFGRDSFPWEVPKKLKY
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 A Residue 401 [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 S247 F250
Binding residue
(residue number reindexed from 1)		H15 D165 S233 F236
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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