Structure of PDB 5a19 Chain A Binding Site BS01

Receptor Information
>5a19 Chain A (length=369) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMI
LLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSP
EEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWL
RPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKV
IKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGA
HGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVLVQVSYAIGVSH
PLSISIFHYGTSQKSERELLEIVKKNFDLRPGVIVRDLDLKKPIYQRTAA
YGHFGRDSFPWEVPKKLKY
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 chain5a19 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5a19 Crystallography Captures Catalytic Steps in Human Methionine Adenosyltransferase Enzymes.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		H29 D31 K181 R264 K265
Binding residue
(residue number reindexed from 1)		H14 D16 K155 R238 K239
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 K155 F224 D232 A233 R238 K239 K259 K263 D265
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5a19, PDBe:5a19, PDBj:5a19
PDBsum5a19
PubMed26858410
UniProtP31153|METK2_HUMAN S-adenosylmethionine synthase isoform type-2 (Gene Name=MAT2A)

[Back to BioLiP]