Structure of PDB 6sav Chain B Binding Site BS01

Receptor Information

>6sav Chain B (length=438) Species: 4840 (Rhizomucor pusillus)

ATSDDWKSKAIYQLLTDRFGRADDSTSNCSNLSNYCGGTYEGITKHLDYI
SGMGFDAIWISPIPKNSDGGYHGYWATDFYQLNSNFGDESQLKALIQAAH
ERDMYVMLDVVANHAGPTSDGYSGYTFGDASLYHPKCTIDYNDQTSIEQC
WVADELPDIDTENSDNVAILNDIVSGWVGNYSFDGIRIDTVKHIRKDFWT
GYAEAAGVFATGEVFNGDPAYVGPYQKYLPSLINYPMYYALNDVFVSKSK
GFSRISEMLGSNRNAFEDTSVLTTFVDNHDNPRFLNSQSDKALFKNALTY
VLLGEGIPIVYYGSEQGFSGGADPANREVLWTTNYDTSSDLYQFIKTVNS
VRMKSNKAVYMDIYVGDNAYAFKHGDALVVLNNYGSGSTNQVSFSVSGKF
DSGASLMDIVSNITTTVSSDGTVTFNLKDGLPAIFTSA

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: 6sav Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6sav Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): N113 E148 D158 H193
• Binding residue (residue number reindexed from 1): N113 E148 D158 H193
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D109 R187 D189 E213 H279 D280
• Catalytic site (residue number reindexed from 1): D109 R187 D189 E213 H279 D280
• 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:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:6sav, PDBe:6sav, PDBj:6sav
• PDBsum: 6sav
• PubMed: 31623309
• UniProt: M9TI89