Structure of PDB 3vo0 Chain A Binding Site BS06

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 506 [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)		S415 G416 T417 Y452
Binding residue
(residue number reindexed from 1)		S398 G399 T400 Y435
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

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

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