Structure of PDB 6ze6 Chain A Binding Site BS03

Receptor Information
>6ze6 Chain A (length=585) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYTFIIAGGGISGLTLADRLTEDPRVTVLVIEAGPLDRGEDGILVPGAFS
PWLYFWPGLVSTPQAGLNNRTVDVITAQVVGGGSTINAMVYLRGDKDDYD
SWGALGNPGWSWNSMLPYFIKSETFTPPSPELAAAGNITWDGSIRGRSGP
VNYSYPNYFFPGSENWWNAANEVGLPPVKDPMAGSKQGVFWIPSAIDART
MTRSHARRNHYDRVSSRPNYHILPSHLVSKILFRGKQAIGVSYIPTSGGN
TTTNVYASKEITLAAGGLGTPKILQLSGIGPRKLLNELGIPVISDLPGVG
QNLQDQPTLTIPYTFTNNVFPNTDSLTTNATYNAEQRALYDSSKQGAYTI
VNSLSTNIGVMSLQRAAPKSYRQIIAAARARSASLSLPPGTDPAVIRGYQ
AQRNAILKQFENPNVGVGTVHWGTGSSALVYHLKPLSRGTVNIRSTNPLD
APEIDYRTGTDPIDAQVYTSLFRKNREIFNAPSMRVLGPSEAAPFGANLT
TDEEIYAVMRELINPSNAHQCCTAAMMPKDMGGVVSSEQKVYGVQGLRVA
DISFWPFQLSGSPMATAYAGAERLADVIKKEHRLA
Ligand information
Ligand ID4NC
InChIInChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
InChIKeyXJNPNXSISMKQEX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1O)[N+]([O-])=O
ACDLabs 10.04[O-][N+](=O)c1cc(O)c(O)cc1
OpenEye OEToolkits 1.5.0c1cc(c(cc1[N+](=O)[O-])O)O
FormulaC6 H5 N O4
Name4-NITROCATECHOL
ChEMBLCHEMBL42423
DrugBankDB03407
ZINCZINC000034800312
PDB chain6ze6 Chain A Residue 708 [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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PDB6ze6 Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Resolution1.26 Å
Binding residue
(original residue number in PDB)		I120 N559 S561 N562
Binding residue
(residue number reindexed from 1)		I75 N514 S516 N517
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0044550 secondary metabolite biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6ze6, PDBe:6ze6, PDBj:6ze6
PDBsum6ze6
PubMed34076590
UniProtG0SAW6

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