Structure of PDB 1rpk Chain A Binding Site BS07

Receptor Information

>1rpk Chain A (length=404) Species: 4513 (Hordeum vulgare)

HQVLFQGFNWESWKQSGGWYNMMMGKVDDIAAAGVTHVWLPPPSHSVSNE
GYMPGRLYDIDASKYGNAAELKSLIGALHGKGVQAIADIVINHRCADYKD
SRGIYCIFEGGTSDGRLDWGPHMICRDDTKYSDGTANLDTGADFAAAPDI
DHLNDRVQRELKEWLLWLKSDLGFDAWRLDFARGYSPEMAKVYIDGTSPS
LAVAEVWDNMATGGDGKPNYDQDAHRQNLVNWVDKVGGAASAGMVFDFTT
KGILNAAVEGELWRLIDPQGKAPGVMGWWPAKAVTFVDNHDTGSTQAMWP
FPSDKVMQGYAYILTHPGIPCIFYDHFFNWGFKDQIAALVAIRKRNGITA
TSALKILMHEGDAYVAEIDGKVVVKIGSRYDVGAVIPAGFVTSAHGNDYA
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: 1rpk Chain A Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1rpk Oligosaccharide Binding to Barley {alpha}-Amylase 1
• Resolution: 2.0 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:1rpk, PDBe:1rpk, PDBj:1rpk
• PDBsum: 1rpk
• PubMed: 16030022
• UniProt: P00693|AMY1_HORVU Alpha-amylase type A isozyme (Gene Name=AMY1.1)