Structure of PDB 8cqf Chain A

Receptor sequence

>8cqfA (length=448) Species: 228 (Pseudoalteromonas haloplanktis)

HPTTFVHLFEWNWQDVAQECEQYLGPKGYAAVQVSPPNEHITGSQWWTRY
QPVSYELQSRGGNRAQFIDMVNRCSAVGVDIYVDTLINHMAAGSGTGTAG
NSFGNKSFPIYSPQDFHESCTINNSDYGNDRYRVQNCELVGLADLDTASN
YVQNTIAAYINDLQAIGVKGFRFDASKHVAASDIQSLMAKVNGSPVVFQE
VIDLGGEAIKSSEYLSTGLVTEFKYGAKLGTVFRNGSLAWLSNFGEGWGF
MPSSSAVVFVDNHDNQRGHGGSSILTFEDGRLYDLANVFMLAYPYGYPRV
MSSYDFHGNDWAGGPNVPVHNNGNLECFASNWKCEHRWSYIAGGVDFRNN
TADNWAVTNWWDNTNNQISFGRGSSGHMAINKEDSTLTATVQTDMASGQY
CNVLKGELSADAKSCSGEVITVNSDGTINLNIGAWDAMAIHKNAKLGA

3D structure

• PDB: 8cqf Computational design of the temperature optimum of an enzyme reaction.
• Chain: A
• Resolution: 2.05 Å

Enzymatic activity

• Enzyme Commision number: 3.2.1.1: alpha-amylase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	GLC	A	S253 W357	S253 W355
BS02	AC1	A	G298 Y299 W357	G296 Y297 W355
BS03	AC1	A	P109 I110 S112 Q114 D115 Y151	P109 I110 S112 Q114 D115 Y151
BS04	AC1	A	D286 F330 W340 S341	D284 F328 W338 S339
BS05	GLC	A	K177 E207	K177 E207
BS06	AC1	A	W46 Y50 H89 D174 H178 E200 H263 D264	W46 Y50 H89 D174 H178 E200 H263 D264
BS07	GLC	A	W46 W47 Q51	W46 W47 Q51
BS08	GLC	A	Q51 V140 W313	Q51 V140 W311
BS09	CA	A	N88 Q135 D144 H178	N88 Q135 D144 H178

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004556 alpha-amylase activity
• GO:0043169 cation binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:8cqf, PDBe:8cqf, PDBj:8cqf
• PDBsum: 8cqf
• PubMed: 37379391
• UniProt: P29957|AMY_PSEHA Alpha-amylase (Gene Name=amy)