Structure of PDB 7ud5 Chain K Binding Site BS01

Receptor Information
>7ud5 Chain K (length=175) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARAEVHLRKSAFDMFNFLASKHRQLPMPMRFRHLKKTSKEAVGVYRSPIH
GRGLFCKRNIDAGEMVIEYAGNVIRSIQTDKREKYYDSKGIGCYMFRIDD
SEVVDATMHGNAARFINHSCEPNCYSRVINIDGQKHIVIFAMRKIYRGEE
LTYDYKFPIKLPCNCGAKKCRKFLN
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain7ud5 Chain K Residue 4001 [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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PDB7ud5 Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome.
Resolution4.25 Å
Binding residue
(original residue number in PDB)		H3839 R3841 C3882 Y3883 R3903 H3907 Y3944 L3955 P3956
Binding residue
(residue number reindexed from 1)		H50 R52 C93 Y94 R114 H118 Y155 L161 P162
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links