Structure of PDB 2aaa Chain A Binding Site BS02

Receptor Information

>2aaa Chain A (length=476) Species: 5061 (Aspergillus niger)

LSAASWRTQSIYFLLTDRFGRTDNSTTATCNTGNEIYCGGSWQGIIDHLD
YIEGMGFTAIWISPITEQLPQDTADGEAYHGYWQQKIYDVNSNFGTADNL
KSLSDALHARGMYLMVDVVPDHMGYAGNGNDVDYSVFDPFDSSSYFHPYC
LITDWDNLTMVEDCWEGDTIVSLPDLDTTETAVRTIWYDWVADLVSNYSV
DGLRIDSVLEVQPDFFPGYNKASGVYCVGEIDNGNPASDCPYQKVLDGVL
NYPIYWQLLYAFESSSGSISNLYNMIKSVASDCSDPTLLGNFIENHDNPR
FAKYTSDYSQAKNVLSYIFLSDGIPIVYAGEEQHYAGGKVPYNREATWLS
GYDTSAELYTWIATTNAIRKLAIAADSAYITYANDAFYTDSNTIAMAKGT
SGSQVITVLSNKGSSGSSYTLTLSGSGYTSGTKLIEAYTCTSVTVDSSGD
IPVPMASGLPRVLLPASVVDSSSLCG

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: 2aaa Chain A Residue 486

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2aaa Calcium binding in alpha-amylases: an X-ray diffraction study at 2.1-A resolution of two enzymes from Aspergillus.
• Resolution: 2.12 Å
• Binding residue (original residue number in PDB): D206 E230
• Binding residue (residue number reindexed from 1): D206 E230
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R204 D206 E230 H296 D297
• Catalytic site (residue number reindexed from 1): R204 D206 E230 H296 D297
• 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:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0016052 carbohydrate catabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2aaa, PDBe:2aaa, PDBj:2aaa
• PDBsum: 2aaa
• PubMed: 2207069
• UniProt: P56271|AMYA_ASPNG Acid alpha-amylase