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Receptor Information

>1wu8 Chain B (length=256) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MITLTTDFGLKGPYVGEMKVAMLRINPNAKIVDVTHSVTRHSILEGSFVM
EQVVKYSPKGTVHVGVIDPGVGTERRAIVIEGDQYLVVPDNGLATLPLKH
IKVKSVYEIIPDKIRKFTGWEISSTFHGRDIFGPAGALIEKGIHPEEFGR
EIPVDSIVKLNVEPRKEGDVWILKVIYIDDFGNVILNLENYEKPRTVELL
DFNLRLPYLETYGLVEKGEMLALPGSHDYLEIAVNMGSAAERLNVKVGDE
LRVRLL

Ligand ID

ADN

InChI

InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChIKey

OIRDTQYFTABQOQ-KQYNXXCUSA-N

SMILES

Software	SMILES
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N

Formula

C10 H13 N5 O4

Name

ADENOSINE

PDB chain

1wu8 Chain B Residue 501 [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	1wu8 Crystal structure of project ID PH0463 from Pyrococcus horikoshii OT3
Resolution	2.6 Å
Binding residue (original residue number in PDB)	D7 H41 I67 D68 P69
Binding residue (residue number reindexed from 1)	D7 H41 I67 D68 P69
Annotation score	5

Enzyme Commision number

3.13.2.3: (R)-S-adenosyl-L-methionine hydrolase (adenosine-forming).

	Molecular Function
GO:0016787	hydrolase activity

PDB	RCSB:1wu8, PDBe:1wu8, PDBj:1wu8
PDBsum	1wu8
PubMed
UniProt	O58212\|RSAMH_PYRHO (R)-S-adenosyl-L-methionine hydrolase (Gene Name=PH0463)

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Structure of PDB 1wu8 Chain B Binding Site BS02