Structure of PDB 6slo Chain D Binding Site BS01

Receptor Information
>6slo Chain D (length=209) Species: 1439318 (Citrobacter freundii MGH 56) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKL
TVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFL
DANLAGSAMESTVMVLRNMVDPKDIDDDLEGEVTEECGKFGAVNRVIIYQ
EKQGEEEDAEIIVKIFVEFSIASETHKAIQALNGRWFAGRKVVAEVYDQE
RFDNSDLSA
Ligand information
Ligand IDLJT
InChIInChI=1S/C23H30ClN3O3S/c1-29-20-15-19-23(16-21(20)30-2)31-22-5-4-17(24)14-18(22)27(19)7-3-6-25-8-10-26(11-9-25)12-13-28/h4-5,14-16,28H,3,6-13H2,1-2H3
InChIKeyGKWVWOUUPIERSK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl
CACTVS 3.385COc1cc2Sc3ccc(Cl)cc3N(CCCN4CCN(CCO)CC4)c2cc1OC
FormulaC23 H30 Cl N3 O3 S
Name2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
ChEMBL
DrugBank
ZINC
PDB chain6slo Chain D Residue 601 [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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PDB6slo Identification of phenothiazine derivatives as UHM-binding inhibitors of early spliceosome assembly.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		M466 E479 E483 R532 F534 V539
Binding residue
(residue number reindexed from 1)		M119 E132 E136 R185 F187 V192
Annotation score1
Binding affinityMOAD: ic50=178.1uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0015035 protein-disulfide reductase activity

View graph for
Molecular Function
External links
PDB RCSB:6slo, PDBe:6slo, PDBj:6slo
PDBsum6slo
PubMed33159082
UniProtQ9UHX1|PUF60_HUMAN Poly(U)-binding-splicing factor PUF60 (Gene Name=PUF60)

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