Structure of PDB 3vo0 Chain A Binding Site BS03

Receptor Information
>3vo0 Chain A (length=466) Species: 240015 (Acidobacterium capsulatum ATCC 51196) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLR
TLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVIT
PEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLA
FQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDT
AYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLG
ETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQA
AAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLG
AKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGT
VLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKA
SGALLEFAKLAAALQH
Ligand information
Ligand IDDNF
InChIInChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
InChIKeyUFBJCMHMOXMLKC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O
ACDLabs 10.04O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O
FormulaC6 H4 N2 O5
Name2,4-DINITROPHENOL
ChEMBLCHEMBL273386
DrugBankDB04528
ZINCZINC000012358776
PDB chain3vo0 Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vo0 Structural and biochemical characterization of glycoside hydrolase family 79 beta-glucuronidase from Acidobacterium capsulatum
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N80 E83 Y84 G107 H108 H109 A110 N180 I182
Binding residue
(residue number reindexed from 1)		N63 E66 Y67 G90 H91 H92 A93 N163 I165
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.31: beta-glucuronidase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3vo0, PDBe:3vo0, PDBj:3vo0
PDBsum3vo0
PubMed22367201
UniProtC1F2K5

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