Structure of PDB 8h0m Chain A Binding Site BS02

Receptor Information
>8h0m Chain A (length=392) Species: 1434727 (Duganella sp. ZLP-XI) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGLVPRGSHMASMKILVIGAGPAGLIFASQMKQAQPGWDISIVEKNTQEE
VLGWGVVLPGRPPRHPANPLSYLEQPERLNPQYLEEFKLVHHDQPNLMST
GVTLCGVERRGLVQALRAKCVAAGIAISYETPPASQAQLEAEYDLVVVAN
GVNHKTLQLPPSLAPQIDFGRNKYIWYGTTQLFDQMNLVFRSNAQGMFIG
HAYRYSDTMSTFVVECDEQAYARAELEMRSERDAAAYIAKVFEAELGGHA
LVSQPGQGWRNFMTLSRERACEGKFVLIGDALQSGHFSIGHGTTMAVVLA
LLLVKTLSADTDPVAALDNFNARALPLAHLFRDHANSSRLWFESVAERME
LSNADLTASFDARRKDLPPLQDALMASLGYALGRLEHHHHHH
Ligand information
Ligand ID2EH
InChIInChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyYIWUKEYIRIRTPP-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CCCC[C@H](CC)CO
OpenEye OEToolkits 1.7.0CCCCC(CC)CO
CACTVS 3.352CCCC[CH](CC)CO
FormulaC8 H18 O
Name(2S)-2-ethylhexan-1-ol
ChEMBL
DrugBank
ZINCZINC000001529452
PDB chain8h0m Chain A Residue 405 [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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PDB8h0m Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway.
Resolution1.702 Å
Binding residue
(original residue number in PDB)		V44 M173 H188
Binding residue
(residue number reindexed from 1)		V57 M186 H201
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:8h0m, PDBe:8h0m, PDBj:8h0m
PDBsum8h0m
PubMed36869636
UniProtA0A024AX32

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