Structure of PDB 1urd Chain A Binding Site BS02

Receptor Information
>1urd Chain A (length=370) Species: 405212 (Alicyclobacillus acidocaldarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTITVWSWQTGPELQDVKQIAAQWAKAHGDKVIVVDQSSNPKGFQFYATA
ARTGKGPDVVFGMPHDNNGVFAEEGLMAPVPSGVLNTGLYAPNTIDAIKV
NGTMYSVPVSVQVAAIYYNKKLVPQPPQTWAEFVKDANAHGFMYDQANLY
FDYAIIGGYGGYVFKDNNGTLDPNNIGLDTPGAVQAYTLMRDMVSKYHWM
TPSTNGSIAKAEFLAGKIGMYVSGPWDTADIEKAKIDFGVTPWPTLPNGK
HATPFLGVITAFVNKESKTQAADWSLVQALTSAQAQQMYFRDSQQIPALL
SVQRSSAVQSSPTFKAFVEQLRYAVPMPNIPQMQAVWQAMSILQNIIAGK
VSPEQGAKDFVQNIQKGIMA
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 chain1urd Chain C Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1urd X-Ray Structures of the Maltose-Maltodextrin-Binding Protein of the Thermoacidophilic Bacterium Alicyclobacillus Acidocaldarius Provide Insight Into Acid Stability of Proteins.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		F73 D95 N96 N177 Y179 M356 W366 M369
Binding residue
(residue number reindexed from 1)		F44 D66 N67 N148 Y150 M327 W337 M340
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015144 carbohydrate transmembrane transporter activity
GO:1901982 maltose binding
Biological Process
GO:0008643 carbohydrate transport
GO:0015768 maltose transport
GO:0034219 carbohydrate transmembrane transport
GO:0042956 maltodextrin transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1urd, PDBe:1urd, PDBj:1urd
PDBsum1urd
PubMed14659755
UniProtQ9RHZ6

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