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Receptor Information

>7ulc Chain A (length=315) Species: 479434 (Sphaerobacter thermophilus DSM 20745) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DRLGVLTTTRRVVEQAQAVWIDHDAVAQIAEAFAARQVTPPTWNRELHWS
DGREALANYILVLDAVNFCFWGEPRWRIEYAGAVYDGYWALAASLKRALE
QGVPLTDASYLAEITRDDVATIFAGEGEIPLLDERARILRETGSVLAERF
AGRFSDAIAAAGRSAVALVDIVTNAFPSFRDVATYRGEQVRFYKRAQILV
SDLYGAFDGSDLGAFDDLGELTAFANYKVPQVLHHLGILRYAPALHDRLA
RREEIPAGSPEEVEIRAATIWGVEELRRALASRGHALDAYQVDWLLWDEG
QRLPAGTLPYHRTRT

Ligand ID

56B

InChI

InChI=1S/C17H24N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h1-2,4,7-9,11-13,16,19,23-26H,3,5H2,(H2,28,29,30)(H3,18,20,21,27)/t7-,8-,9+,11+,12+,13+,16+/m0/s1

InChIKey

BSABGNSIPKXNDL-AEZJAUAXSA-N

SMILES

Software	SMILES
CACTVS 3.385	NC1=Nc2n(cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c2C(=O)N1)[C@@H]4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]4O
ACDLabs 12.01	n2(cc(CNC1C(O)C(O)C=C1)c3c2N=C(N)NC3=O)C4C(O)C(O)C(O4)COP(=O)(O)O
OpenEye OEToolkits 1.9.2	c1c(c2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CNC4C=CC(C4O)O
CACTVS 3.385	NC1=Nc2n(cc(CN[CH]3C=C[CH](O)[CH]3O)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O
OpenEye OEToolkits 1.9.2	c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O

Formula

C17 H24 N5 O10 P

Name

2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

PDB chain

7ulc Chain A 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	7ulc Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5'-monophosphate as the biological substrate.
Resolution	1.99 Å
Binding residue (original residue number in PDB)	N72 G92 Y93 K199 I203 F229 N231 Y232 K233 D298 W299 W302 Q306
Binding residue (residue number reindexed from 1)	N67 G87 Y88 K194 I198 F224 N226 Y227 K228 D293 W294 W297 Q301
Annotation score	4

Enzyme Commision number

3.2.2.-

	Molecular Function
GO:0016787	hydrolase activity

	Biological Process
GO:0101030	tRNA-guanine transglycosylation

PDB	RCSB:7ulc, PDBe:7ulc, PDBj:7ulc
PDBsum	7ulc
PubMed	36610787
UniProt	D1C7A6\|QNG1_SPHTD Queuosine 5'-phosphate N-glycosylase/hydrolase (Gene Name=Sthe_2331)

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Structure of PDB 7ulc Chain A Binding Site BS01