Structure of PDB 5hzr Chain A Binding Site BS01

Receptor Information

>5hzr Chain A (length=552) Species: 573729 (Thermothelomyces thermophilus ATCC 42464)

ANDEEAYLKLLDQAKDTRITHLLRQTDGFLKQLASSIDYYAVAHRIKEEV
TEQASILVGGTLKEYQLKGLQWMLSLYNNNLNGILADEMGLGKTIQTISL
ITYLIEKKHQQGPYLVIVPLSTLTNWNLEFDKWAPSVAKVVYKGPPNARK
MQQEKIRQGKFQVLLTTYEYIIKDRPLLSKIKWFHMIIDEGHRMSKLSAT
IQQYYSTRFRLILTGTPLQNNLAELWAMLNFVLPNIFKSAKTFDEWFNTP
FAQDKMELTEEEQILVIRRLHKVLRPFLLRRLKKDVEKDLPDKTEKVIKC
KFSALQARLYKQMVTHQKIAARGLSNMIMQLRKLCNHPFVFDEVENQMNP
ANVSNDLLWRTAGKFELLDRILPKYKATGHRVLMFFQMTAIMDIMEDFLR
FRGLHYLRLDGTTKSEDRSELLRQFNQPDSPYFMFLLSTRALNLQTADTV
IIYDSDIGQKNEVRILRLISSASVEEKILEGEQEEMDDDELNMILARNEE
ELAIFQKLDEERSRDPIYGTAPGCQGVPRLMTEDELPDIYLPVEEEVEMA
LG

Ligand information

• Ligand ID: KH2
• InChI: InChI=1S/C9H19NO3S/c1-10(6-3-2-4-7-10)8-5-9-14(11,12)13/h2-9H2,1H3
• InChIKey: DQNQWAVIDNVATL-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: [O-]S(=O)(=O)CCC[N+]1(CCCCC1)C
  OpenEye OEToolkits 1.7.6: C[N+]1(CCCCC1)CCCS(=O)(=O)[O-]
  CACTVS 3.370: C[N+]1(CCCCC1)CCC[S]([O-])(=O)=O
• Formula: C9 H19 N O3 S
• Name: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate
• PDB chain: 5hzr Chain A Residue 1201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hzr Structure of chromatin remodeler Swi2/Snf2 in the resting state
• Resolution: 2.33 Å
• Binding residue (original residue number in PDB): N865 D866
• Binding residue (residue number reindexed from 1): N355 D356
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0042393 histone binding
• GO:0140658 ATP-dependent chromatin remodeler activity

External links

• PDB: RCSB:5hzr, PDBe:5hzr, PDBj:5hzr
• PDBsum: 5hzr
• PubMed: 27399259
• UniProt: G2QDW1