Structure of PDB 5a2a Chain A Binding Site BS02

Receptor Information

>5a2a Chain A (length=452)

ERTWQDERIYFIMVDRFNNGNPKNDYEVDVHDPKAYHGGDLQGIIDKLDY
IKEMGFTAIWLTPIFANEKGGYHGYWIEDFYKVEEHFGTLDDFKRLVKEA
HKRDMKVILDFVVNHTGYNHPWLNDPAKKDWFHEKKDIFNWANQQEVENG
WLFGLPDLAQENPEVKTYLFDVAKWWIQETDIDGYRLDTVKHVPKWFWDE
FAKEVKSVKQDFFLLGEVWHDDPRYVAEYGKHGIDALIDFPFYKEASTIF
SNVDQSLEPLYNVWKRNVAFYERPYLLGTFLDNHDTVRFTRLALQNRINP
VTRLKLGLTYLFSAPGIPIMYYGTEIALDGGEDPDNRRLMNFRTDKELID
YVTKLGELRAKLPSLRRGDFELLYEKDGMALFKRTYEKETTVIAINNTSK
TQKVTLDGELEQGKELRGLLAGDLVRSKDGKYDIILDRETAEIYVLAPKT
GL

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: 5a2a Chain A Residue 1481

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5a2a Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): N44 N46 N49 D50 G63 D65
• Binding residue (residue number reindexed from 1): N19 N21 N24 D25 G38 D40
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D135 R211 D213 E242 H309 D310
• Catalytic site (residue number reindexed from 1): D110 R186 D188 E217 H284 D285
• 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

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:5a2a, PDBe:5a2a, PDBj:5a2a
• PDBsum: 5a2a
• PubMed: 26975884
• UniProt: I1VWH9