Structure of PDB 5hzr Chain A Binding Site BS03

Receptor Information
>5hzr Chain A (length=552) Species: 573729 (Thermothelomyces thermophilus ATCC 42464) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANDEEAYLKLLDQAKDTRITHLLRQTDGFLKQLASSIDYYAVAHRIKEEV
TEQASILVGGTLKEYQLKGLQWMLSLYNNNLNGILADEMGLGKTIQTISL
ITYLIEKKHQQGPYLVIVPLSTLTNWNLEFDKWAPSVAKVVYKGPPNARK
MQQEKIRQGKFQVLLTTYEYIIKDRPLLSKIKWFHMIIDEGHRMSKLSAT
IQQYYSTRFRLILTGTPLQNNLAELWAMLNFVLPNIFKSAKTFDEWFNTP
FAQDKMELTEEEQILVIRRLHKVLRPFLLRRLKKDVEKDLPDKTEKVIKC
KFSALQARLYKQMVTHQKIAARGLSNMIMQLRKLCNHPFVFDEVENQMNP
ANVSNDLLWRTAGKFELLDRILPKYKATGHRVLMFFQMTAIMDIMEDFLR
FRGLHYLRLDGTTKSEDRSELLRQFNQPDSPYFMFLLSTRALNLQTADTV
IIYDSDIGQKNEVRILRLISSASVEEKILEGEQEEMDDDELNMILARNEE
ELAIFQKLDEERSRDPIYGTAPGCQGVPRLMTEDELPDIYLPVEEEVEMA
LG
Ligand information
Ligand IDKH2
InChIInChI=1S/C9H19NO3S/c1-10(6-3-2-4-7-10)8-5-9-14(11,12)13/h2-9H2,1H3
InChIKeyDQNQWAVIDNVATL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01[O-]S(=O)(=O)CCC[N+]1(CCCCC1)C
OpenEye OEToolkits 1.7.6C[N+]1(CCCCC1)CCCS(=O)(=O)[O-]
CACTVS 3.370C[N+]1(CCCCC1)CCC[S]([O-])(=O)=O
FormulaC9 H19 N O3 S
Name3-(1-methylpiperidinium-1-yl)propane-1-sulfonate
ChEMBL
DrugBank
ZINC
PDB chain5hzr Chain A Residue 1203 [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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PDB5hzr Structure of chromatin remodeler Swi2/Snf2 in the resting state
Resolution2.33 Å
Binding residue
(original residue number in PDB)		R768 R769 K772 R775
Binding residue
(residue number reindexed from 1)		R268 R269 K272 R275
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0042393 histone binding
GO:0140658 ATP-dependent chromatin remodeler activity

View graph for
Molecular Function
External links
PDB RCSB:5hzr, PDBe:5hzr, PDBj:5hzr
PDBsum5hzr
PubMed27399259
UniProtG2QDW1

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