BioLiP

Receptor Information

>1dli Chain A (length=402) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKIAVAGSGYVGLSLGVLLSLQNEVTIVDILPSKVDKINNGLSPIQDEYI
EYYLKSKQLSIKATLDSKAAYKEAELVIIATPTNYNSRINYFDTQHVETV
IKEVLSVNSHATLIIKSTIPIGFITEMRQKFQTDRIIFSPEFLRESKALY
DNLYPSRIIVSCEENDSPKVKADAEKFALLLKSAAKKNNVPVLIMGASEA
EAVKLFANTYLALRVAYFNELDTYAESRKLNSHMIIQGISYDDRIGMHYN
NPSFGYGGYCLPKDTKQLLANYNNIPQTLIEAIVSSNNVRKSYIAKQIIN
VLKEQESPVKVVGVYRLIMKSNSDNFRESAIKDVIDILKSKDIKIIIYEP
MLNKLESEDQSVLVNDLENFKKQANIIVTNRYDNELQDVKNKVYSRDIFG
RD

Ligand ID

UDX

InChI

InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1

InChIKey

DQQDLYVHOTZLOR-OCIMBMBZSA-N

SMILES

Software	SMILES
CACTVS 3.341	O[C@@H]1CO[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]1O
ACDLabs 10.04	O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
OpenEye OEToolkits 1.5.0	C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O
OpenEye OEToolkits 1.5.0	C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O
CACTVS 3.341	O[CH]1CO[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]1O

Formula

C14 H22 N2 O16 P2

Name

URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE;
UDP-ALPHA-D-XYLOPYRANOSE

PDB chain

1dli Chain A Residue 404 [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	1dli The first structure of UDP-glucose dehydrogenase reveals the catalytic residues necessary for the two-fold oxidation.
Resolution	2.31 Å
Binding residue (original residue number in PDB)	F142 L143 R144 E145 K204 V215 Y249 N250 N251 S253 G257 C260 L261 M319 K320 R381 D402
Binding residue (residue number reindexed from 1)	F142 L143 R144 E145 K204 V215 Y249 N250 N251 S253 G257 C260 L261 M319 K320 R381 D402
Annotation score	3

Catalytic site (original residue number in PDB)	T118 E145 K204 N208 C260 D264
Catalytic site (residue number reindexed from 1)	T118 E145 K204 N208 C260 D264
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:1dli, PDBe:1dli, PDBj:1dli
PDBsum	1dli
PubMed	10841783
UniProt	P0C0F4\|UDG_STRPY UDP-glucose 6-dehydrogenase (Gene Name=hasB)

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Structure of PDB 1dli Chain A Binding Site BS02