Structure of PDB 4cuq Chain A Binding Site BS01

Receptor Information
>4cuq Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVI
KKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGH
NMRKYFEKKWTDTFK
Ligand information
Ligand ID5K3
InChIInChI=1S/C10H14O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,10-12H,4,7H2,1H3/t10-/m0/s1
InChIKeyWAQHVLNKHJYPKB-JTQLQIEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6COC(CCc1ccc(cc1)O)O
CACTVS 3.385CO[C@H](O)CCc1ccc(O)cc1
OpenEye OEToolkits 1.7.6CO[C@@H](CCc1ccc(cc1)O)O
CACTVS 3.385CO[CH](O)CCc1ccc(O)cc1
ACDLabs 12.01Oc1ccc(cc1)CCC(O)OC
FormulaC10 H14 O3
Name4-[(3S)-3-hydroxy-3-methoxypropyl]phenol
ChEMBL
DrugBank
ZINCZINC000098208521
PDB chain4cuq Chain A Residue 2971 [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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PDB4cuq Crystal Structure of Human Baz2B in Complex with Fragment-2 N09594
Resolution2.11 Å
Binding residue
(original residue number in PDB)		P1888 F1889 V1898 F1943 N1944
Binding residue
(residue number reindexed from 1)		P33 F34 V43 F88 N89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4cuq, PDBe:4cuq, PDBj:4cuq
PDBsum4cuq
PubMed
UniProtQ9UIF8|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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