Structure of PDB 5t8t Chain A Binding Site BS01

Receptor Information

>5t8t Chain A (length=379) 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
DIADLNQGAGDQGLMFGYACDETPTLMPFAIYYSHRLMQRQSELRKDGRL
PWLRPDAKAQLTVVYDSETGKVKRIDTVVLSTQHDPAISQEELSKAVIEQ
IIKPVLPPELLTDETKYLINPTGRFVIGGPQGDCGLTGRKIIVDTYGGAA
PHGGGAFSGKDPSKVDRSAAYACRYVAKNIVAAGLATQCQIQVSYAIGVA
EPTSISIDTFGTGKISEEKLIALVCEHFDLRPKGIVQMLDLLRPIYGKSA
AYGHFGREEPEFTWERTDKAASLKAAAGL

Ligand information

Ligand ID

AMP

InChI

InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

UDMBCSSLTHHNCD-KQYNXXCUSA-N

SMILES

Software	SMILES
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N

Formula

C10 H14 N5 O7 P

Name

ADENOSINE MONOPHOSPHATE

PDB chain

5t8t Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5t8t Crystal Structure of a S-adenosylmethionine Synthase from Neisseria gonorrhoeae with bound AMP and Magnesium
Resolution	2.1 Å
Binding residue (original residue number in PDB)	D102 I103 D121
Binding residue (residue number reindexed from 1)	D101 I102 D111
Annotation score	4

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 K158 F225 D233 C234 R239 K240 K260 K264 D266
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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Cellular Component

External links

PDB	RCSB:5t8t, PDBe:5t8t, PDBj:5t8t
PDBsum	5t8t
PubMed
UniProt	Q5FAC0\|METK_NEIG1 S-adenosylmethionine synthase (Gene Name=metK)

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