Structure of PDB 8qno Chain A Binding Site BS01

Receptor Information

>8qno Chain A (length=421) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MDCGKDYCVKDLSLAEEGWKKIDWVSRFMPVLQYIKREFEEKKPFKGVRI
AATLHLEMKTAFLLLTLKAGGAEVSAAASNPLSTQDDVVAALAKAGVKVY
AIRGESREQYYEFMHKALDIRPNIIIDDGADMISLVHKERQEMLDEIWGG
SEETTTGVIRLRAMEKAGILKFPVIAVNDSYMKYLFDNRYGTGQSTWDGI
MRATNLLIAGKNVVVVGYGWCGRGIAMRARGLGATVIVVEVDPIKALEAR
MDGFLVMDMKEAAKIGDIFVTATGNIKCIRREHFELMKDGAIMANAGHFD
VEIWKPDLEKLAVEINNPRPNVTEYKLKDGRRLYLLADGRLVNLVAADGH
PAEIMDMSFALQAKAAEYIKDNHERLEPKVYILPREIDEMVARIKLESMG
IKIEELTEEQKKYLESWEHGT

Ligand information

Ligand ID

NOS

InChI

InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1

InChIKey

UGQMRVRMYYASKQ-KQYNXXCUSA-N

SMILES

Software	SMILES
CACTVS 3.385	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385	OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 2.0.6	c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=O
OpenEye OEToolkits 2.0.6	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O

Formula

C10 H12 N4 O5

Name

INOSINE

PDB chain

8qno Chain A 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	8qno Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases.
Resolution	2.033 Å
Binding residue (original residue number in PDB)	H55 E57 K59 D128 E153 T154 K183 D187 H298 L341 L344 H350 M355 F359
Binding residue (residue number reindexed from 1)	H55 E57 K59 D128 E153 T154 K183 D187 H298 L341 L344 H350 M355 F359
Annotation score	3

External links

PDB	RCSB:8qno, PDBe:8qno, PDBj:8qno
PDBsum	8qno
PubMed	38548921
UniProt	P50251\|SAHH_PYRFU Adenosylhomocysteinase (Gene Name=ahcY)

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