Structure of PDB 3vm7 Chain A Binding Site BS02

Receptor Information
>3vm7 Chain A (length=470) Species: 5041 (Malbranchea cinnamomea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATPDEWRSRSIYQVLTDRFARGDGSPDAPCDTGARKYCGGNYRGLISQLD
YIQGMGFDSVWISPITKQFEDDWNGAPYHGYWQTDLYALNEHFGTEEDLR
ALADELHARGMFLMVDVVINHNGWPGDAASIDYSQFNPFNSSDYYHPPCE
INYDDQTSVEQCWLYTGANALPDLKTEDPHVSQVHNDWIADLVSKYSIDG
LRIDTTKHVDKPAIGSFNDAAGVYAVGEVYHGDPAYTCPYQDWVDGVLNF
PVYYPLIDAFKSPSGTMWSLVDNINKVFQTCNDPRLLGTFSENHDIPRFA
SYTQDLALAKNVLAFTILFDGIPIVYAGQEQQYSGDSDPYNREALWLSGF
NTDAPLYKHIAACNRIRSHAVSNDDAYITTPTDIKYSDDHTLALVKGAVT
TVLTNAGANAGETTVTVEATGYASGEQVTDVLSCESIAASDGGRLSVTLN
QGLPRVFFPTDALAGSGLCE
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain3vm7 Chain A Residue 503 [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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PDB3vm7 A Novel Multifunctional alpha-Amylase from the Thermophilic Fungus Malbranchea cinnamomea: Biochemical Characterization and Three-Dimensional Structure.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		T226 H229 E249 Y251 D316
Binding residue
(residue number reindexed from 1)		T205 H208 E228 Y230 D295
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D137 R223 D225 E249 H315 D316
Catalytic site (residue number reindexed from 1) D116 R202 D204 E228 H294 D295
Enzyme Commision number 3.2.1.1: alpha-amylase.
Gene Ontology
Molecular Function
GO:0004556 alpha-amylase activity
GO:0005509 calcium ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016052 carbohydrate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3vm7, PDBe:3vm7, PDBj:3vm7
PDBsum3vm7
PubMed23536251
UniProtK9L8F3

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