Structure of PDB 2qpu Chain C Binding Site BS01

Receptor Information

>2qpu Chain C (length=404) Species: 4513 (Hordeum vulgare)

HQVLFQGFNWESWKQSGGWYNMMMGKVDDIAAAGVTHVWLPPPSHSVSNE
GYMPGRLYDIDASKYGNAAELKSLIGALHGKGVQAIADIVINHRCADYKD
SRGIYCIFEGGTSDGRLDWGPHMICRDDTKYSDGTANLDTGADFAAAPDI
DHLNDRVQRELKEWLLWLKSDLGFDAWRLDFARGYSPEMAKVYIDGTSPS
LAVAEVWDNMATGGDGKPNYDQDAHRQNLVNWVDKVGGAASAGMVFDFTT
KGILNAAVEGELWRLIDPQGKAPGVMGWWPAKAVTFVDNHDTGSTQAMWP
FPSDKVMQGYAYILTHPGIPCIFYDHFFNWGFKDQIAALVAIRKRNGITA
TSALKILMHEGDAYVAEIDGKVVVKIGPRYDVGAVIPAGFVTSAHGNDYA
VWEK

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: 2qpu Chain C Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2qpu The 'pair of sugar tongs' site on the non-catalytic domain C of barley alpha-amylase participates in substrate binding and activity
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): N92 D139 A142 D149 G184
• Binding residue (residue number reindexed from 1): N92 D139 A142 D149 G184
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D180 E205 D291
• Catalytic site (residue number reindexed from 1): D180 E205 D291
• Enzyme Commision number: 3.2.1.1: alpha-amylase.

Gene Ontology

Molecular Function

• GO:0004556 alpha-amylase activity
• GO:0005509 calcium ion binding
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0043169 cation binding
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0005983 starch catabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2qpu, PDBe:2qpu, PDBj:2qpu
• PDBsum: 2qpu
• PubMed: 17803687
• UniProt: P00693|AMY1_HORVU Alpha-amylase type A isozyme (Gene Name=AMY1.1)