Structure of PDB 5wbv Chain B Binding Site BS04

Receptor Information
>5wbv Chain B (length=227) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMSAKELCENDDLATSLVLDPYLGFQTHKMNKGRQEELKEVIERFKKDEH
LEKAFKCLTSFLNKNKMQEKLFKEHVFIYLRMFATDSGFEILPCNRYSSE
QNGAKIVATKEWKRNDKIELLVGCIAELSEIEENMLLRHGENDFSVMYST
RKNCAQLWLGPAAFINHDCRPNCKFVSTGRDTACVKALRDIEPGEEISCY
YGDGFFGENNEFCECYTCERRGTGAFK
Ligand information
Ligand ID9ZY
InChIInChI=1S/C20H13ClN2O4/c1-11-9-16(24)27-19-17(11)18(12-5-3-2-4-6-12)22-23(19)13-7-8-15(21)14(10-13)20(25)26/h2-10H,1H3,(H,25,26)
InChIKeyKSHVOJYZCBOEDY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1=CC(=O)Oc2c1c(nn2c3ccc(c(c3)C(=O)O)Cl)c4ccccc4
CACTVS 3.385CC1=CC(=O)Oc2n(nc(c3ccccc3)c12)c4ccc(Cl)c(c4)C(O)=O
ACDLabs 12.01O=C(c4cc(n3c1OC(C=C(c1c(c2ccccc2)n3)C)=O)ccc4Cl)O
FormulaC20 H13 Cl N2 O4
Name2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid
ChEMBL
DrugBank
ZINCZINC000036047613
PDB chain5wbv Chain B Residue 403 [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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PDB5wbv Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G229 S251 V252 M253 W264 A268 F281 A289 Y307 F311
Binding residue
(residue number reindexed from 1)		G123 S145 V146 M147 W158 A162 F175 A183 Y201 F205
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.361: [histone H4]-lysine(20) N-methyltransferase.
2.1.1.362: [histone H4]-N-methyl-L-lysine(20) N-methyltransferase.
Gene Ontology
Molecular Function
GO:0042799 histone H4K20 methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:5wbv, PDBe:5wbv, PDBj:5wbv
PDBsum5wbv
PubMed
UniProtQ4FZB7|KMT5B_HUMAN Histone-lysine N-methyltransferase KMT5B (Gene Name=KMT5B)

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