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Receptor Information

>7pe4 Chain A (length=310) Species: 1122247 (Mycolicibacterium hassiacum DSM 44199) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TLVPDLTATDLARHRWLTDNSWTRPTWTVAELEAAKAGRTISVVLPALNE
EETVGGVVETIRPLLGGLVDELIVLDSGSTDDTEIRAMAAGARVISREVA
LPEVAPQPGKGEVLWRSLAATTGDIIVFIDSDLIDPDPMFVPKLVGPLLL
SEGVHLVKGFYRRPGGGRVTELVARPLLAALRPELTCVLQPLGGEYAGTR
ELLMSVPFAPGYGVEIGLLVDTYDRLGLDAIAQVNLGVRAHRNRPLTDLA
AMSRQVIATLFSRCGVPDSGVGLTQFFADGDGFSPRTSEVSLVDRPPMNT
LRGKLAAALE

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

7pe4 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	7pe4 Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with UDP-glucose
Resolution	2.05 Å
Binding residue (original residue number in PDB)	P47 A48 L49 E51 S78 G110 K111 D131 S132 L203 Y223 E226 R255 M263
Binding residue (residue number reindexed from 1)	P46 A47 L48 E50 S77 G109 K110 D130 S131 L192 Y212 E215 R244 M252
Annotation score	4

Enzyme Commision number

2.4.1.266: glucosyl-3-phosphoglycerate synthase.

	Molecular Function
GO:0000166	nucleotide binding
GO:0016757	glycosyltransferase activity
GO:0046872	metal ion binding

PDB	RCSB:7pe4, PDBe:7pe4, PDBj:7pe4
PDBsum	7pe4
PubMed
UniProt	K5B7Z4

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Structure of PDB 7pe4 Chain A Binding Site BS01