Structure of PDB 3vm7 Chain A Binding Site BS01

Receptor Information

>3vm7 Chain A (length=470) Species: 5041 (Malbranchea cinnamomea)

ATPDEWRSRSIYQVLTDRFARGDGSPDAPCDTGARKYCGGNYRGLISQLD
YIQGMGFDSVWISPITKQFEDDWNGAPYHGYWQTDLYALNEHFGTEEDLR
ALADELHARGMFLMVDVVINHNGWPGDAASIDYSQFNPFNSSDYYHPPCE
INYDDQTSVEQCWLYTGANALPDLKTEDPHVSQVHNDWIADLVSKYSIDG
LRIDTTKHVDKPAIGSFNDAAGVYAVGEVYHGDPAYTCPYQDWVDGVLNF
PVYYPLIDAFKSPSGTMWSLVDNINKVFQTCNDPRLLGTFSENHDIPRFA
SYTQDLALAKNVLAFTILFDGIPIVYAGQEQQYSGDSDPYNREALWLSGF
NTDAPLYKHIAACNRIRSHAVSNDDAYITTPTDIKYSDDHTLALVKGAVT
TVLTNAGANAGETTVTVEATGYASGEQVTDVLSCESIAASDGGRLSVTLN
QGLPRVFFPTDALAGSGLCE

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3vm7 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vm7 A Novel Multifunctional alpha-Amylase from the Thermophilic Fungus Malbranchea cinnamomea: Biochemical Characterization and Three-Dimensional Structure.
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): N141 E181 D194 H229
• Binding residue (residue number reindexed from 1): N120 E160 D173 H208
• Annotation score: 4

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

External links

• PDB: RCSB:3vm7, PDBe:3vm7, PDBj:3vm7
• PDBsum: 3vm7
• PubMed: 23536251
• UniProt: K9L8F3