Structure of PDB 1uh3 Chain A Binding Site BS02

Receptor Information
>1uh3 Chain A (length=637) Species: 2026 (Thermoactinomyces vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AANDNNVEWNGLFHDQGPLFDNAPEPTSTQSVTLKLRTFKGDITSANIKY
WDTADNAFHWVPMVWDSNDPTGTFDYWKGTIPASPSIKYYRFQINDGTST
AWYNGNGPSSTEPNADDFYIIPNFKTPDWLKNGVMYQIFPDRFYNGDSSN
DVQTGSYTYNGTPTEKKAWGSSVYADPGYDNSLVFFGGDLAGIDQKLGYI
KKTLGANILYLNPIFKAPTNHKYDTQDYMAVDPAFGDNSTLQTLINDIHS
TANGPKGYLILDGVFNHTGDSHPWFDKYNNFSSQGAYESQSSPWYNYYTF
YTWPDSYASFLGFNSLPKLNYGNSGSAVRGVIYNNSNSVAKTYLNPPYSV
DGWRLDAAQYVDANGNNGSDVTNHQIWSEFRNAVKGVNSNAAIIGEYWGN
ANPWTAQGNQWDAATNFDGFTQPVSEWITGKDYQNNSASISTTQFDSWLR
GTRANYPTNVQQSMMNFLSNHDITRFATRSGGDLWKTYLALIFQMTYVGT
PTIYYGDEYGMQGGADPDNRRSFDWSQATPSNSAVALTQKLITIRNQYPA
LRTGSFMTLITDDTNKIYSYGRFDNVNRIAVVLNNDSVSHTVNVPVWQLS
MPNGSTVTDKITGHSYTVQNGMVTVAVDGHYGAVLAQ
Ligand information
Ligand IDGLD
InChIInChI=1S/C6H12O4/c1-3-2-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyBJBURJZEESAQPG-MOJAZDJTSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH]1C[CH](O)[CH](O)[CH](O)O1
ACDLabs 10.04OC1CC(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1CC(C(C(O1)O)O)O
OpenEye OEToolkits 1.5.0C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O
CACTVS 3.341C[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O)O1
FormulaC6 H12 O4
Name4,6-dideoxy-alpha-D-xylo-hexopyranose;
4,6-DIDEOXYGLUCOSE;
4,6-dideoxy-alpha-D-xylo-hexose;
4,6-dideoxy-D-xylo-hexose;
4,6-dideoxy-xylo-hexose
ChEMBL
DrugBankDB01841
ZINCZINC000012501177
PDB chain1uh3 Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uh3 Complex Structures of Thermoactinomyces vulgaris R-47 alpha-Amylase 1 with Malto-oligosaccharides Demonstrate the Role of Domain N Acting as a Starch-binding Domain
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y360 E396 D472
Binding residue
(residue number reindexed from 1)		Y360 E396 D472
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D262 R354 D356 E396 H471 D472
Catalytic site (residue number reindexed from 1) D262 R354 D356 E396 H471 D472
Enzyme Commision number 3.2.1.135: neopullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031216 neopullulanase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1uh3, PDBe:1uh3, PDBj:1uh3
PDBsum1uh3
PubMed14687576
UniProtQ60053|NEPU1_THEVU Neopullulanase 1 (Gene Name=tvaI)

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