Structure of PDB 6fbn Chain B Binding Site BS02

Receptor Information
>6fbn Chain B (length=360) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMI
LLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQASP
DDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDSKT
QVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVP
AKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAF
SGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVLVQVSYVSHPLSISIFHY
GTSQKSERELLEIVKKNFDLRPGVIVRDLDLKKPIYQRTAAYGHFGRDSF
PWEVPKKLKY
Ligand information
Ligand IDPPK
InChIInChI=1S/H6NO9P3/c2-11(3,4)1-12(5,6)10-13(7,8)9/h(H2,7,8,9)(H4,1,2,3,4,5,6)
InChIKeyPELPUMGXMYVGSQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OP(=O)(O)O)(O)NP(=O)(O)O
OpenEye OEToolkits 1.5.0N(P(=O)(O)O)P(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O
CACTVS 3.341O[P](O)(=O)N[P@@](O)(=O)O[P](O)(O)=O
FormulaH6 N O9 P3
Name(DIPHOSPHONO)AMINOPHOSPHONIC ACID
ChEMBL
DrugBankDB03075
ZINC
PDB chain6fbn Chain B Residue 402 [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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PDB6fbn Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H29 D31 K181 R264 K265
Binding residue
(residue number reindexed from 1)		H14 D16 K149 R232 K233
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H29 D31 K32 E57 E70 K181 F250 D258 A259 R264 K265 K285 K289 D291
Catalytic site (residue number reindexed from 1) H14 D16 K17 E42 E55 K149 F218 D226 A227 R232 K233 K253 K257 D259
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:6fbn, PDBe:6fbn, PDBj:6fbn
PDBsum6fbn
PubMed30776190
UniProtP31153|METK2_HUMAN S-adenosylmethionine synthase isoform type-2 (Gene Name=MAT2A)

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