Structure of PDB 3d5z Chain A Binding Site BS01

Receptor Information
>3d5z Chain A (length=314) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHFHPFGGVNFYEMDWSLKGDLWAHDPVIAKEGSRWYVFHTGSGIQIKTS
EDGVHWENMGWVFPSLPDWYKQYVPEKDEDHLWAPDICFYNGIYYLYYSV
STFGKNTSVIGLATNQTLDPRDPDYEWKDMGPVIHSTASDNYNAIDPNVV
FDQEGQPWLSFGSFWSGIQLIQLDTETMKPAAQAELLTIASRGEEPNAIA
APFIVCRNGYYYLFVSFDFCCRGIESTYKIAVGRSKDITGPYVDKNGVSM
MQGGGTILDEGNDRWIGPGHCAVYFSGVSAILVNHAYDALKNGEPTLQIR
PLYWDDEGWPYLSV
Ligand information
Ligand IDFUB
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m0/s1
InChIKeyHMFHBZSHGGEWLO-KLVWXMOXSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@@H]1O[C@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(OC(O)C1O)CO
FormulaC5 H10 O5
Namebeta-L-arabinofuranose;
beta-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBank
ZINCZINC000004097027
PDB chain3d5z Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3d5z Crystal structure of an inverting GH 43 1,5-alpha-L-arabinanase from Geobacillus stearothermophilus complexed with its substrate
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G105 F165 W166
Binding residue
(residue number reindexed from 1)		G104 F164 W165
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.99: arabinan endo-1,5-alpha-L-arabinosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046558 arabinan endo-1,5-alpha-L-arabinosidase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0031222 arabinan catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3d5z, PDBe:3d5z, PDBj:3d5z
PDBsum3d5z
PubMed19505290
UniProtB3EYM8|IABN_GEOSE Intracellular endo-alpha-(1->5)-L-arabinanase (Gene Name=abnB)

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