Structure of PDB 5xdc Chain B Binding Site BS01
Receptor Information
>5xdc Chain B (length=402) Species:
107035
(Paenibacillus sp. A11-2) [
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EDHRALDVATELAKTFRVTVRERERAGGTPKAERDAIRRSGLLTLLISKE
RGGLGESWPTVYEAIAEIASADASLGHLFGYHFSNFAYVDLFASPEQKAR
WYPQAVRERWFLGNASSENNAHVLDWRVTATPLPDGSYEINGTKAFCSGS
ADADRLLVFAVTSRDPNGDGRIVAALIPSDRAGVQVNGDWDSLGMRQTDS
GSVTFSGVVVYPDELLGTPGQVTDAFASGSKPSLWTPITQLIFTHLYLGI
ARGALEEAAHYSRSHSRPFTLAGVEKATEDPYVLAIYGEFAAQLQVAEAG
AREVALRVQELWERNHVTPEQRGQLMVQVASAKIVATRLVIELTSRLYEA
MGARAAASRQFGFDRFWRDARTHTLHDPVAYKIREVGNWFLNHRFPTPSF
YS
Ligand information
Ligand ID
IND
InChI
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey
SIKJAQJRHWYJAI-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[nH]1ccc2ccccc12
OpenEye OEToolkits 1.5.0
c1ccc2c(c1)cc[nH]2
ACDLabs 10.04
c1cccc2c1ccn2
Formula
C8 H7 N
Name
INDOLE
ChEMBL
CHEMBL15844
DrugBank
DB04532
ZINC
ZINC000014516984
PDB chain
5xdc Chain B Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
5xdc
Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity.
Resolution
1.5785 Å
Binding residue
(original residue number in PDB)
H89 F158 S212 H385 H388
Binding residue
(residue number reindexed from 1)
H77 F146 S200 H373 H376
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.14.14.21
: dibenzothiophene monooxygenase.
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0004497
monooxygenase activity
GO:0008470
3-methylbutanoyl-CoA dehydrogenase activity
GO:0016627
oxidoreductase activity, acting on the CH-CH group of donors
GO:0050660
flavin adenine dinucleotide binding
Biological Process
GO:0006552
L-leucine catabolic process
Cellular Component
GO:0005737
cytoplasm
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:5xdc
,
PDBe:5xdc
,
PDBj:5xdc
PDBsum
5xdc
PubMed
28768765
UniProt
Q9LBX2
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