Structure of PDB 4ha4 Chain A Binding Site BS03

Receptor Information
>4ha4 Chain A (length=489) Species: 666510 (Acidilobus saccharovorans 345-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVTFPKDFLFGWSQAGFQSEMGTPGSEDPNSDWYAWVHDRENIAAGLVSG
DFPENGPGYWGNYRKFHDAAQAMGLTAARIGVEWSRIFPRPTFDVKVDAE
VKGDDVLSVYVSEGALEQLDKMANRDAINHYREMFSDLRSRGITFILNLY
HWPLPLWLHDPIAIRRGNLSAPSGWLDVRTVIEFAKFSAYVAWKLDDLVY
MYSTMNEPNVVWGLGYAAVKSGFPPGYLCLECAGRAMKNLVQAHARAYDA
VKAITKKPVGVIYANSDFTPLTDADREAAERAKFDNRWAFFDAVVRGQLG
GSTRDDLKGRLDWIGVNYYTRQVVRARGSGYEIVPGYGHGCEPNGVSPAG
RPCSDFGWEFYPEGLYNVLKEYWDRYHLPLLVTENGIADEGDYQRPYYLV
SHVYQVHRALQDGVNVIGYLHWSLADNYEWASGFSKRFGLLMVDYSTKRL
HWRPSAFIYREIAKSRAITDEIEHLNSVPPLRGLSPGHR
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain4ha4 Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ha4 Structures of beta-glycosidase from Acidilobus saccharovorans in complexes with tris and glycerol.
Resolution1.37 Å
Binding residue
(original residue number in PDB)		Q19 H152 N207 E208 E385 W423 E430
Binding residue
(residue number reindexed from 1)		Q18 H151 N206 E207 E384 W422 E429
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R80 H152 E208 V211 N318 Y320 E385
Catalytic site (residue number reindexed from 1) R79 H151 E207 V210 N317 Y319 E384
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4ha4, PDBe:4ha4, PDBj:4ha4
PDBsum4ha4
PubMed23657657
UniProtD9PZ08

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