Structure of PDB 6pic Chain A Binding Site BS03

Receptor Information
>6pic Chain A (length=343) Species: 1658765 (Marinobacter subterrani) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKTVFSPLHSRRHVKTELDGGLLIEPHEKPSRAETILARVKDQALGEIL
EPEEFGLGPVKRVHTADYVSFLETCWDEWVAAGKRGEAIPTFWVGRGMRA
RLPKDIDGRLGYYSLGADTSISDGTWEAARASANVALTAQKLVAEGERAA
FALCRPPGHHAHADVFGGYCFFNNAAIAAQAFRDQGYGKVAVLDVDFHHG
NGTQAIFYDRSDVLTISLHGDPDLVFPHFLGFEDETGEGDGEAYNLNIVF
PPDTPFSIWSQGLEKACERIRTFAPDALVVALGVDTFEEDPISFFKLTSG
DYLKLGKRLEQLGLPTVFTMEGGYDVDAIGVNAVNVMQGFEGK
Ligand information
Ligand ID6XA
InChIInChI=1S/C6H14N2O2/c7-5-3-1-2-4-6(9)8-10/h10H,1-5,7H2,(H,8,9)
InChIKeyHAQVDFULTKFINY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CCC(=O)NO)CCN
CACTVS 3.385NCCCCCC(=O)NO
ACDLabs 12.01C(N)CCCCC(NO)=O
FormulaC6 H14 N2 O2
Name6-amino-N-hydroxyhexanamide
ChEMBL
DrugBank
ZINC
PDB chain6pic 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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PDB6pic Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Resolution2.031 Å
Binding residue
(original residue number in PDB)		D117 H158 H159 Y168 D195 H197 F225 Y323
Binding residue
(residue number reindexed from 1)		D118 H159 H160 Y169 D196 H198 F226 Y324
Annotation score1
Binding affinityMOAD: ic50=410uM
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:6pic, PDBe:6pic, PDBj:6pic
PDBsum6pic
PubMed31436969
UniProtA0A0J7JFD7

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