Structure of PDB 1q6f Chain A Binding Site BS02

Receptor Information
>1q6f Chain A (length=490) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMLLNYVPVYVMLPLGVVNVDNVFEDPDGLKEQLLQLRAAGVDGVMVDVW
WGIIELKGPKQYDWRAYRSLLQLVQECGLTLQAIMSFHQCGGNVGDIVNI
PIPQWVLDIGESNHDIFYTNRSGTRNKEYLTVGVDNEPIFHGRTAIEIYS
DYMKSFRENMSDFLESGLIIDIYVGLGPAGELRYPSYPQSQGWEFPGIGE
FQCYDKYLKADFKAAVARAGHPEWELPDDAGKYNDVPESTGFFKSNGTYV
TEKGKFFLTWYSNKLLNHGDQILDEANKAFLGCKVKLAIKVSGIHWWYKV
ENHAAELTAGYYNLNDRDGYRPIARMLSRHHAILNFTCLEMRDSEQPSDA
KSGPQELVQQVLSGGWREDIRVAGENALPRYDATAYNQIILNARPQGVNN
NGPPKLSMFGVTYLRLSDDLLQKSNFNIFKKFVLKMHADQDYCANPQKYN
HAITPLKPSAPKIPIEVLLEATKPTLPFPWLPETDMKVDG
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain1q6f Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1q6f Structural and Enzymatic Analysis of Soybean {beta}-Amylase Mutants with Increased pH Optimum
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D53 H93 D101 R420
Binding residue
(residue number reindexed from 1)		D48 H88 D96 R415
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D101 E186 T342 E380 L383
Catalytic site (residue number reindexed from 1) D96 E181 T337 E375 L378
Enzyme Commision number 3.2.1.2: beta-amylase.
Gene Ontology
Molecular Function
GO:0016161 beta-amylase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1q6f, PDBe:1q6f, PDBj:1q6f
PDBsum1q6f
PubMed14638688
UniProtP10538|AMYB_SOYBN Beta-amylase (Gene Name=BMY1)

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