Structure of PDB 7xdq Chain A Binding Site BS01

Receptor Information
>7xdq Chain A (length=470) Species: 1033846 (Marinobacter adhaerens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKNAVQLICYPDRIGNNLKDLYTVVDTHLSEAIGGLHILPFFPSNADGGF
SPLTHKEVDPKFGTWDDIEAFTAKYDLCVDLTVNHISDESPEFKDFIANG
FDSEYADLFVHVDKFGEISPDDLALIHIRKEKEPFREVTLADGTKTRVWC
TFTEQQIDLNYESPLAYQLMESYIGFLTSKGVNLLRLDAFGYTTKRIGTS
CFLVEPEVYQILDWINQVALKHGAECLPEVHDHISYQYAISRRNMHPYGF
ALPPLLLYSLLDANSTYLKNWLRMCPRNMVTVLDTHDGICIPDVEGVLPD
EKIKVLIDNIDARSAANIHSVGAIYQLTCTFYDALMQNDDAYIAARAIQF
FTPGIPQVYYVGLLAGCNDHELMEQTGELRDINRHYYTLEEVEQDIQKPV
VQRLLSLMKFRSNYPAFDGHFELNYSNNSSVAMAWRHGDYYCHLFVDLNF
KTVKVTYTDVETGETRHLEC
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain7xdq 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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PDB7xdq Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Resolution2.83 Å
Binding residue
(original residue number in PDB)		D49 F52 H87 R188 E231 D289
Binding residue
(residue number reindexed from 1)		D47 F50 H85 R186 E229 D287
Annotation score2
Enzymatic activity
Enzyme Commision number 2.4.1.359: glucosylglycerol phosphorylase (configuration-retaining).
Gene Ontology
Molecular Function
GO:0004645 1,4-alpha-oligoglucan phosphorylase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0051472 glucosylglycerol metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7xdq, PDBe:7xdq, PDBj:7xdq
PDBsum7xdq
PubMed
UniProtE4PMA5|GGOP_MARAH Glucosylglycerol phosphorylase (Gene Name=gtfA)

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