Structure of PDB 3w7s Chain B Binding Site BS02

Receptor Information
>3w7s Chain B (length=760) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NADNYKNVINRTGAPQYMKDYDYDDHQRFNPFFDLGAWHGHLLPDGPNTM
GGFPGVALLTEEYINFMASNFDRLTVWQDGKKVDFTLEAYSIPGALVQKL
TAKDVQVEMTLRFATPRTSLLETKITSNKPLDLVWDGELLEKLEAKEGKP
LSDKTIAGEYPDYQRKISATRDGLKVTFGKVRATWDLLTSGESEYQVHKS
LPVQTEINGNRFTSKAHINGSTTLYTTYSHLLTAQEVSKEQMQIRDILAR
PAFYLTASQQRWEEYLKKGLTNPDATPEQTRVAVKAIETLNGNWRSPGGA
VKFNTVTPSVTGRWFSGNQTWPWDTWKQAFAMAHFNPDIAKENIRAVFSW
QIQPGDSVRPQDVGFVPDLIAWNLSPERGGDGGNWNERNTKPSLAAWSVM
EVYNVTQDKTWVAEMYPKLVAYHDWWLRNRDHNGNGVPEYGATRDKAHNT
ESGEMLFTVKKGDKEETQSGLNNYARVVEKGQYDSLEIPAQVAASWESGR
DDAAVFGFIDKEQLDKYVANGGKRSDWTVKFAENRSQDGTLLGYSLLQES
VDQASYMYSDNHYLAEMATILGKPEEAKRYRQLAQQLADYINTCMFDPTT
QFYYDVRIEDKPLANGCAGKPIVERGKGPEGWSPLFNGAATQANADAVVK
VMLDPKEFNTFVPLGTAALTNPAFGADIYWRGRVWVDQFWFGLKGMERYG
YRDDALKLADTFFRHAKGLTADGPIQENYNPLTGAQQGAPNFSWSAAHLY
MLYNDFFRKQ
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain3w7s Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3w7s Structural insights into the substrate specificity and function of Escherichia coli K12 YgjK, a glucosidase belonging to the glycoside hydrolase family 63.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W321 D368 K391 W496 D501
Binding residue
(residue number reindexed from 1)		W321 D368 K391 W496 D501
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0004555 alpha,alpha-trehalase activity
GO:0015926 glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005991 trehalose metabolic process
GO:0005993 trehalose catabolic process
GO:0006974 DNA damage response
GO:0009313 oligosaccharide catabolic process
Cellular Component
GO:1902687 glucosidase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3w7s, PDBe:3w7s, PDBj:3w7s
PDBsum3w7s
PubMed18586271
UniProtP42592|YGJK_ECOLI Glucosidase YgjK (Gene Name=ygjK)

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