Structure of PDB 1fa2 Chain A Binding Site BS01

Receptor Information
>1fa2 Chain A (length=498) Species: 4120 (Ipomoea batatas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APIPGVMPIGNYVSLYVMLPLGVVNADNVFPDKEKVEDELKQVKAGGCDG
VMVDVWWGIIEAKGPKQYDWSAYRELFQLVKKCGLKIQAIMSFHQCGGNV
GDAVFIPIPQWILQIGDKNPDIFYTNRAGNRNQEYLSLGVDNQRLFQGRT
ALEMYRDFMESFRDNMADFLKAGDIVDIEVGCGAAGELRYPSYPETQGWV
FPGIGEFQCYDKYMVADWKEAVKQAGNADWEMPGKGAGTYNDTPDKTEFF
RPNGTYKTDMGKFFLTWYSNKLIIHGDQVLEEANKVFVGLRVNIAAKVSG
IHWWYNHVSHAAELTAGFYNVAGRDGYRPIARMLARHHATLNFTCLEMRD
SEQPAEAKSAPQELVQQVLSSGWKEYIDVAGENALPRYDATAYNQMLLKL
RPNGVNLNGPPKLKMSGLTYLRLSDDLLQTDNFELFKKFVKKMHADLDPS
PNAISPAVLERSNSAITIDELMEATKGSRPFPWYDVTDMPVDGSNPFD
Ligand information
Ligand IDRR7
InChIInChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyPMMURAAUARKVCB-KAZBKCHUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C(C(C(OC1O)CO)O)O
CACTVS 3.385OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O
CACTVS 3.385OC[CH]1O[CH](O)C[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
ACDLabs 12.01C1(CC(O)C(C(CO)O1)O)O
FormulaC6 H12 O5
Name2-deoxy-beta-D-arabino-hexopyranose;
2-deoxy-alpha-D-glucopyranose
ChEMBLCHEMBL2208394
DrugBank
ZINCZINC000003860329
PDB chain1fa2 Chain B Residue 1 [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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PDB1fa2 Crystallization, molecular replacement solution, and refinement of tetrameric beta-amylase from sweet potato.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E187 Y193 G300 C345
Binding residue
(residue number reindexed from 1)		E187 Y193 G300 C345
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D102 E187 T344 E382 L385
Catalytic site (residue number reindexed from 1) D102 E187 T344 E382 L385
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:1fa2, PDBe:1fa2, PDBj:1fa2
PDBsum1fa2
PubMed7777485
UniProtP10537|AMYB_IPOBA Beta-amylase (Gene Name=BMY1)

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