Structure of PDB 6phz Chain A Binding Site BS03

Receptor Information
>6phz Chain A (length=347) Species: 1658765 (Marinobacter subterrani) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSMKTVFSPLHSRRHVKTELDGGLLIEPHEKPSRAETILARVKDQAL
GEILEPEEFGLGPVKRVHTADYVSFLETCWDEWVAAGKRGEAIPTFWVGR
GMRARLPKDIDGRLGYYSLGADTSISDGTWEAARASANVALTAQKLVAEG
ERAAFALCRPPGHHAHADVFGGYCFFNNAAIAAQAFRDQGYGKVAVLDVD
FHHGNGTQAIFYDRSDVLTISLHGDPDLVFPHFLGFEDETGEGDGEAYNL
NIVFPPDTPFSIWSQGLEKACERIRTFAPDALVVALGVDTFEEDPISFFK
LTSGDYLKLGKRLEQLGLPTVFTMEGGYDVDAIGVNAVNVMQGFEGK
Ligand information
Ligand IDFKS
InChIInChI=1S/C10H21F3N2O2/c11-10(12,13)9(16,17)5-2-1-3-7-15-8-4-6-14/h15-17H,1-8,14H2
InChIKeyIVRAKANOVJJYCX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CCC(C(F)(F)F)(O)O)CCNCCCN
CACTVS 3.385NCCCNCCCCCC(O)(O)C(F)(F)F
ACDLabs 12.01C(N)CCNCCCCCC(C(F)(F)F)(O)O
FormulaC10 H21 F3 N2 O2
Name7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol
ChEMBL
DrugBank
ZINCZINC000263620577
PDB chain6phz Chain A Residue 406 [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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PDB6phz Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E17 L18 D19 D117 P156 H158 H159 G167 Y168 D195 H197 F225 G321
Binding residue
(residue number reindexed from 1)		E22 L23 D24 D122 P161 H163 H164 G172 Y173 D200 H202 F230 G326
Annotation score1
Binding affinityMOAD: ic50=350uM
PDBbind-CN: -logKd/Ki=3.46,IC50=350uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004407 histone deacetylase activity
GO:0046872 metal ion binding
Biological Process
GO:0006338 chromatin remodeling

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Molecular Function
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Biological Process
External links
PDB RCSB:6phz, PDBe:6phz, PDBj:6phz
PDBsum6phz
PubMed31436969
UniProtA0A0J7JFD7

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