Structure of PDB 7kgz Chain B Binding Site BS01

Receptor Information
>7kgz Chain B (length=634) Species: 301301 (Roseburia hominis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRNTIVLEKDWTFYKNPQSESGEAVTLPHTWNAVDGQDGGNDYYRGTCKY
VRHFAKPELEKGGRAYLEFNGAAMTADVVVNGTKLFHHEGGFSTFRVDVT
EQLTEDNLLEVYVDNSDNTKVYPQKADFTFYGGLYRMVKLVTVPKVHFVM
DYAGGNGMKVTPEVTILDAAEKQADADVTVELWMTGEATDVTVAVAGETQ
TVPVENGYARAVFALKNVHLWDGVDDPYLYTAKAELPGGDVVERTFGCRS
FKVDSREGFFLNGRSYPLRGVSRHQDRAGAGNALTYEMHREDMAIVRELG
ANTIRLAHYQHAQEFYDLCDENGIIVWAEIPYITMHMADGTENTLSQMKE
LIVQNYHHPSIVCWGLSNEITAASAVNEELLENHRRLNDLCHELDKTRPT
VMADVFMLETDSPMLEIPDMNSYNLYFGWYIGELDQNDSFFDEYHSTYPD
RVIGLSEYGADANPAYHSANPERGDYTEEYQCVYHEHMAKMIEERPYLWA
THVWNLFDFAADGRDEGGRHGENQKGLVTMDRRIKKDAFYVYKAYWSKAP
FVHLCGSRYTDRAEDVTEIKVYSNQKKVSLFVDGAEKETKEGARIFRFRV
PITGTHTIRAVSGDCTDEITVRKVDEPNPDYIFN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7kgz Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7kgz Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D35 D38 G39 D42 D512
Binding residue
(residue number reindexed from 1)		D35 D38 G39 D42 D512
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7kgz, PDBe:7kgz, PDBj:7kgz
PDBsum7kgz
PubMed35013263
UniProtA0A395V874

[Back to BioLiP]