Structure of PDB 6ze7 Chain A Binding Site BS02

Receptor Information
>6ze7 Chain A (length=584) 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
DISFWPFQLSGSPMATAYAGAERLADVIKKEHRL
Ligand information
Ligand IDNPO
InChIInChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKeyBTJIUGUIPKRLHP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=[N+]([O-])c1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])O
FormulaC6 H5 N O3
NameP-NITROPHENOL
ChEMBLCHEMBL14130
DrugBankDB04417
ZINCZINC000034828682
PDB chain6ze7 Chain A Residue 705 [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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PDB6ze7 Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L137 V405 Y476 L478 G606 S607
Binding residue
(residue number reindexed from 1)		L92 V360 Y431 L433 G561 S562
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6ze7, PDBe:6ze7, PDBj:6ze7
PDBsum6ze7
PubMed34076590
UniProtG0SAW6

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