Structure of PDB 1wpc Chain A Binding Site BS05

Receptor Information
>1wpc Chain A (length=481) Species: 1416 (Bacillus sp. 707) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNGTMMQYFEWYLPNDGNHWNRLNSDASNLKSKGITAVWIPPAWKGASQN
DVGYGAYDLYDLGEFNQKGTVRTKYGTRSQLQAAVTSLKNNGIQVYGDVV
MNHKGGADATEMVRAVEVNPNNRNQEVTGEYTIEAWTRFDFPGRGNTHSS
FKWRWYHFDGVDWDQSRRLNNRIYKFRGHGKAWDWEVDTENGNYDYLMYA
DIDMDHPEVVNELRNWGVWYTNTLGLDGFRIDAVKHIKYSFTRDWINHVR
SATGKNMFAVAEFWKNDLGAIENYLQKTNWNHSVFDVPLHYNLYNASKSG
GNYDMRNIFNGTVVQRHPSHAVTFVDNHDSQPEEALESFVEEWFKPLAYA
LTLTREQGYPSVFYGDYYGIPTHGVPAMRSKIDPILEARQKYAYGKQNDY
LDHHNIIGWTREGNTAHPNSGLATIMSDGAGGSKWMFVGRNKAGQVWSDI
TGNRTGTVTINADGWGNFSVNGGSVSIWVNK
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 chain1wpc 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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PDB1wpc Biochemical and crystallographic analyses of maltohexaose-producing amylase from alkalophilic Bacillus sp. 707
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A237 H240 E266
Binding residue
(residue number reindexed from 1)		A233 H236 E262
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D236 E266 D333
Catalytic site (residue number reindexed from 1) D232 E262 D329
Enzyme Commision number 3.2.1.98: glucan 1,4-alpha-maltohexaosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004556 alpha-amylase activity
GO:0005509 calcium ion binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033927 glucan 1,4-alpha-maltohexaosidase activity
GO:0043169 cation binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005983 starch catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:1wpc, PDBe:1wpc, PDBj:1wpc
PDBsum1wpc
PubMed15518553
UniProtP19571|AMT6_BACS7 Glucan 1,4-alpha-maltohexaosidase

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