Structure of PDB 3voc Chain A Binding Site BS01

Receptor Information

>3voc Chain A (length=416) Species: 1406 (Paenibacillus polymyxa)

AVADDFQASVMGPLAKINDWGSFKKQLQTLKNNGVYAITTDVWWGYVESA
GDNQFDWSYYKTYANAVKEAGLKWVPIISTHKCGGNVGDDCNIPLPSWLS
SKGSADEMQFKDESGYANSEALSPLWSGTGKQYDELYASFAENFAGYKSI
IPKIYLSGGPSGELRYPSYYPAAGWSYPGRGKFQAYTETAKNAFRTAMND
KYGSLDKINAAWGTKLTSLSQINPPTDGDGFYTNGGYNSAYGKDFLSWYQ
SVLEKHLGVIGAAAHKNFDSVFGVRIGAKISGLHWQMNNPAMPHGTEQAG
GYYDYNRLIQKFKDADLDLTFTCLEMSDSGTAPNYSLPSTLVDTVSSIAN
AKGVRLNGENALPTGGSGFQKIEEKITKFGYHGFTLLRINNLVNNDGSPT
GELSGFKQYIISKAKP

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: 3voc Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3voc Structural analysis by X-ray crystallography and small-angle scattering of the multi-domain beta-amylase from Paenibacillus polymyxa
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): E48 D52 N53 Q132 E135
• Binding residue (residue number reindexed from 1): E48 D52 N53 Q132 E135
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D89 E163 T322 E359 L362
• Catalytic site (residue number reindexed from 1): D89 E163 T322 E359 L362
• Enzyme Commision number: 3.2.1.1: alpha-amylase.
  3.2.1.2: beta-amylase.

Gene Ontology

Molecular Function

• GO:0016161 beta-amylase activity

Biological Process

• GO:0000272 polysaccharide catabolic process
• GO:0005976 polysaccharide metabolic process

External links

• PDB: RCSB:3voc, PDBe:3voc, PDBj:3voc
• PDBsum: 3voc
• UniProt: P21543|AMYB_PAEPO Beta/alpha-amylase