Structure of PDB 6tp0 Chain A Binding Site BS03

Receptor Information

>6tp0 Chain A (length=481) Species: 1402 (Bacillus licheniformis)

LNGTLMQYFEWYMPNDGQHWKRLQNDSAYLAEHGITAVWIPPAYKGTSQD
DVGYGAYDLYDLGEFHQKGTVRTKYGTKGELQSAINSLHSRDINVYGDVV
INHKGGADATEYVTAVEVDPADRNRVTSGEQRIKAWTHFQFPGRGSTYSD
FKWYWYHFDGTDWDESRKLNRIYKFQGKAWDWEVSNENGNYDYLMYADID
YDHPDVTAEIKRWGTWYANELQLDGFRLDAVKHIKFSFLRDWVNHVREKT
GKEMFTVAEYWQNDLGALENYLNKTNFNHSVFDVPLHYQFHAASTQGGGY
DMRKLLNGTVVSKHPVKAVTFVDNHDTQPGQSLESTVQTWFKPLAYAFIL
TREAGYPQIFYGDMYGTKGASQREIPALKHKIEPILKARKQYAYGAQHDY
FDHHNIVGWTREGDSSVANSGLAALITDGPGGTKRMYVGRQNAGETWHDI
TGNRSDSVVINAEGWGEFHVNGGSVSIYVQR

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: 6tp0 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6tp0 Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
• Resolution: 2.04 Å
• Binding residue (original residue number in PDB): N104 D194 D200 H235
• Binding residue (residue number reindexed from 1): N102 D192 D198 H233
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R229 D231 E261 H327 D328
• Catalytic site (residue number reindexed from 1): R227 D229 E259 H325 D326
• Enzyme Commision number: 3.2.1.1: alpha-amylase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• 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

External links

• PDB: RCSB:6tp0, PDBe:6tp0, PDBj:6tp0
• PDBsum: 6tp0
• PubMed: 33058974
• UniProt: I3P686