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Receptor Information

>8in7 Chain A (length=432) Species: 4058 (Catharanthus roseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PIHILAFPFPAKGHINPLLHLCNRLASKGFKITLITTVSTLKSVKTSKAN
GIDIESIPDGIPQEQNHQIITVMEMNMELYFKQFKASAIENTTKLIQKLK
TKNPLPKVLIYDSSMPWILEVAHEQGLLGASFFTQPCSVSAIYYHMLQGT
IKLMVSLPYLPLLEIKDLPGVQQFEDNSEAVAELLADQFSNIDDVDYVLF
NTFDALEIEVVNWMGSKWPILTVGPTAPTNYLFETNTEVCMKWLDQREID
TVIYVSFGSLASLTEEQMEQVSQALIRSNCYFLWVVREEEENKLPKDFKE
TTSKKKGLVINWCPQLDVLAHKSVACFMTHCGWNSTLEALCSGVPMICMP
QWADQTTNAKLIEHVWKIGVGVNKSGIVKREEIEDCIRQVIESERGKELK
RNAIKWKELAKEAVSEGGSSCNNIQEFSSSLL

Ligand ID

UPG

InChI

InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1

InChIKey

HSCJRCZFDFQWRP-JZMIEXBBSA-N

SMILES

Software	SMILES
CACTVS 3.370	OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370	OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6	C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O

Formula

C15 H24 N2 O17 P2

Name

URIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER

PDB chain

8in7 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	8in7 Crystal structure of UGT74AN3-UDP
Resolution	1.9 Å
Binding residue (original residue number in PDB)	G24 H25 N27 S296 V322 W349 C350 Q352 H367 G369 W370 N371 S372 E375 D391
Binding residue (residue number reindexed from 1)	G13 H14 N16 S259 V285 W312 C313 Q315 H330 G332 W333 N334 S335 E338 D354
Annotation score	4

Enzyme Commision number

2.4.1.-

	Molecular Function
GO:0008194	UDP-glycosyltransferase activity
GO:0016757	glycosyltransferase activity
GO:0080043	quercetin 3-O-glucosyltransferase activity
GO:0080044	quercetin 7-O-glucosyltransferase activity

PDB	RCSB:8in7, PDBe:8in7, PDBj:8in7
PDBsum	8in7
PubMed
UniProt	W8JMV4\|UGT9_CATRO UDP glycosyltransferase 9 (Gene Name=UGT9)

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Structure of PDB 8in7 Chain A Binding Site BS01