Structure of PDB 6nzg Chain B Binding Site BS02

Receptor Information
>6nzg Chain B (length=837) Species: 820 (Bacteroides uniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRQTQTINDSWKFLKGECTAAADSAFDDSKWTSIHLPHTWNTDAYTEKDY
YRGTGWYRRQLTLPQGWKEKQIILRLDAAGKSATIYINGKNVGEHAGGYT
ACSFNITPFLSFDTPNTLAVCVDNARQDIAPISGDFTFFGGIYRDVWLTA
VPNQHFNLTNHGSDGLFISTPQVSEEQATLSIRGEVKNDAPEKATLELTH
TIYRPDGTLLQTLKKNIQLKAGETYAFSNEATPVLKPELWTPETPRLYRV
ETTLRNRKTKTLLDQSNHYTAFRWFRFDGDEGFFLNGKPYKLRGICRHQD
QKPIGPALTDEMHRRDFLLMKEMGANFIRISHYPQDDALLEMCDKLGMLA
WEEIPIIDIVPNTPGYGDNCERNLREMIRQHYNHPSIITWGYMNEILLVT
QRKYKTEAELKPVLERTLALANRLERVLKEEDSTRISTMAFHGSNSYNET
GLSKITDIVGWNLYQGWYGGDLTGFEKFLAQQHQNHPTHPMIVSEYGAGS
DKRLHSLHPRAFDFSIEYQQKYLEHYLPVLEDTPYICGGTHWNFIDFSSA
LRDESMPRINNKGLVYADRTPKDVYHYYQAAWRKDIPVLHIASRDWTDRA
GVQQGNAPVYLPVKIYTNLSEVELFIDGISLGKQKTENYTATFEVPFSNR
NPFLFAQGNYQGKTVQDGLRINFTPIPACLDANNLKGLELAVNVGSQCFF
TSDESQLTWLPDQPYAAGSWGYIGGKEGTAQTEIQNTADGPLFQTLRNEI
EGYRFDAPQGVYEIELLFTDIFRESTFGISINGEVVEESLSPCKESGYFR
ALRKKYYITNDKEYIDIRFHSTSGTCFLNGIKLRNIY
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 chain6nzg Chain B Residue 906 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6nzg Discovering the Microbial Enzymes Driving Drug Toxicity with Activity-Based Protein Profiling.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		D176 D341 D367
Binding residue
(residue number reindexed from 1)		D145 D310 D336
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D166 H329 H363 I388 I390 E426 Y495 E526 S586 I590 K593
Catalytic site (residue number reindexed from 1) D135 H298 H332 I357 I359 E395 Y464 E495 S555 I559 K562
Enzyme Commision number 3.2.1.23: beta-galactosidase.
3.2.1.31: beta-glucuronidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6nzg, PDBe:6nzg, PDBj:6nzg
PDBsum6nzg
PubMed31774274
UniProtA0A414F142

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