Structure of PDB 5dfa Chain A Binding Site BS01

Receptor Information
>5dfa Chain A (length=685) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKYERTYTTQANFILHGGDYNPDQWLDRPDILQADLELMKLSHTNTFTVG
VFAWSALEPEEGVYRFEWLDKVFDDIYRIGGRVILATPSGARPAWLSQKY
PEVLRVNAARVRQLHGGRHNHCFTSSVYREKTQHINRLLAERYGDHPALL
MWHVSNEYGGECHCNLCQEAFREWLKKKYNHDLDALNAAWWTSFWSHTYT
DWSQIESPSPIGEHTIHGLNLDWKRFVTDQTISFFENEIVPLRELTPHIP
ITTNFMADTHDLIPFQGLDYSKFAKHLDVISWDAYPAWHNDWESTADLAM
KVGFINDLYRSLKQQPFLLMACTPSLVNWHKVNKAKRPGMHFLSSMQMIA
HGSDSILYFQWRKSRGSFEKFHGAVVDHDNRTDSRVFQEVAEVGKALKKM
SGIVGTNRPAEVAILYDWENNWALNDAQGFAAETKRYPQTLVQHYRPFWE
RDIPVDVITKEHDFSRYKLLIAPMLYLVSEETIARLKEFVANGGTLVMTY
ISGIVDEHDLAYLGGWHQDLREMFGMEPIETDTLYPRDRNSVHYRGRSYE
LKDYATVIKIHAATVEGVYEDDFYADTPAVTSNQYGKGQAYYIGGRLEDQ
FHRDFYQELMEKLDLRPVLFVKHEKGVSVQARQAPECDYVFIMNFTEEKQ
AVVLEEKVKDLFTGEEIVGEIMLDKYEVRVVEKRR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5dfa Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dfa Structure-function relationships in Gan42B, an intracellular GH42 beta-galactosidase from Geobacillus stearothermophilus.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C124 C164 C166 C169
Binding residue
(residue number reindexed from 1)		C122 C162 C164 C167
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006012 galactose metabolic process
Cellular Component
GO:0009341 beta-galactosidase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5dfa, PDBe:5dfa, PDBj:5dfa
PDBsum5dfa
PubMed26627651
UniProtF8TRX0

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