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Receptor Information

>2y0c Chain D (length=454) Species: 292 (Burkholderia cepacia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GSMNLTIIGSGSVGLVTGACLADIGHDVFCLDVDQAKIDILNNGGVPIHE
PGLKEVIARNRSAGRLRFSTDIEAAVAHGDVQFIAVGTPPDLQYVLAAAR
NIGRYMTGFKVIVDKSTVPVGTAERVRAAVAEELAKRGGDQMFSVVSNPE
FLKEGAAVDDFTRPDRIVIGCDDDVPGERARELMKKLYAPFNRNHERTLY
MDVRSAEFTKYAANAMLATRISFMNELANLADRFGADIEAVRRGIGSDPR
IGYHFLYAGCGYGGSCFPKDVEALIRTADEHGQSLQILKAVSSVNATQKR
VLADKIVARFGEDLTGRTFAIWGLAFKPNTDDMREAPSRELIAELLSRGA
RIAAYDPVAQEEARRVIALDLADHPSWLERLSFVDDEAQAARDADALVIV
TEWKIFKSPDFVALGRLWKTPVIFDGRNLYEPETMSEQGIEYHPIGRPGS
RQAV

Ligand ID

UGA

InChI

InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1

InChIKey

HDYANYHVCAPMJV-LXQIFKJMSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O
CACTVS 3.341	O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0	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)C(=O)O)O)O)O)O)O
CACTVS 3.341	O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1O)C(O)=O)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
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O

Formula

C15 H22 N2 O18 P2

Name

URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID;
UDP-GLUCURONIC ACID

PDB chain

2y0c Chain D 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	2y0c Structure of Burkholderia Cepacia Udp-Glucose Dehydrogenase (Ugd) Bcec and Role of Tyr10 in Final Hydrolysis of Ugd Thioester Intermediate.
Resolution	1.75 Å
Binding residue (original residue number in PDB)	E154 F155 L156 E158 K214 I225 F259 Y261 Y266 C270 F271 F330 K331
Binding residue (residue number reindexed from 1)	E150 F151 L152 E154 K210 I221 F255 Y257 Y262 C266 F267 F326 K327
Annotation score	4

Catalytic site (original residue number in PDB)	T121 E158 K214 N218 C270 D274
Catalytic site (residue number reindexed from 1)	T117 E154 K210 N214 C266 D270
Enzyme Commision number	1.1.1.22: UDP-glucose 6-dehydrogenase.

	Molecular Function
GO:0003979	UDP-glucose 6-dehydrogenase activity
GO:0016491	oxidoreductase activity
GO:0016616	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0051287	NAD binding

	Biological Process
GO:0000271	polysaccharide biosynthetic process
GO:0006065	UDP-glucuronate biosynthetic process

PDB	RCSB:2y0c, PDBe:2y0c, PDBj:2y0c
PDBsum	2y0c
PubMed	21602353
UniProt	C9E261

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Structure of PDB 2y0c Chain D Binding Site BS01