Structure of PDB 5t8s Chain A Binding Site BS02

Receptor Information
>5t8s Chain A (length=388) Species: 242231 (Neisseria gonorrhoeae FA 1090) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEYLFTSESVSEGHPDKVADQVSDAILDAILAQDPKARVAAETLVNTGLC
VLAGEITTTAQVDYIKVARETIKRIGYNSSELGFDANGCAVGVYYDQQSP
DIAQGVNEGEGIDLNQGAGDQGLMFGYACDETPTLMPFAIYYSHRLMQRQ
SELRKDGRLPWLRPDAKAQLTVVYDSETGKVKRIDTVVLSTQHDPAISQE
ELSKAVIEQIIKPVLPPELLTDETKYLINPTGRFVIGGPQGDCGLTGRKI
IVDTYGGAAPHGGGAFSGKDPSKVDRSAAYACRYVAKNIVAAGLATQCQI
QVSYAIGVAEPTSISIDTFGTGKISEEKLIALVCEHFDLRPKGIVQMLDL
LRPIYGKSAAYGHFGREEPEFTWERTDKAASLKAAAGL
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain5t8s Chain A Residue 404 [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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PDB5t8s Crystal Structure of a S-adenosylmethionine Synthase from Neisseria gonorrhoeae with bound S-adenosylmethionine, AMP, Pyrophosphate, Phosphate, and Magnesium
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H15 K168 K250
Binding residue
(residue number reindexed from 1)		H14 K167 K249
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H15 D17 K18 E43 E56 K168 F235 D243 C244 R249 K250 K270 K274 D276
Catalytic site (residue number reindexed from 1) H14 D16 K17 E42 E55 K167 F234 D242 C243 R248 K249 K269 K273 D275
Enzyme Commision number 2.5.1.6: methionine adenosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004478 methionine adenosyltransferase activity
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006556 S-adenosylmethionine biosynthetic process
GO:0006730 one-carbon metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5t8s, PDBe:5t8s, PDBj:5t8s
PDBsum5t8s
PubMed
UniProtQ5FAC0|METK_NEIG1 S-adenosylmethionine synthase (Gene Name=metK)

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