Structure of PDB 1u2z Chain C Binding Site BS01

Receptor Information
>1u2z Chain C (length=385) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSTFVDWNGPCLRLQYPLFDIEYLRSHEIYSGTPIQSISLRTTTAKLQSI
LFSNYMEEYKVDFKRSTAIYNPMSEIGKLIEYSCLVFLPSPYAEQLKETI
LPDLNASFDNSDTKGFVNAINLYNKMIREIPRQRIIDHLETIDKIPRSFI
HDFLHIVYTRSIHPQANKLKHYKAFSNYVYGELLPNFLSDVYQQCQLKKG
DTFMDLGSGVGNCVVQAALECGCALSFGCEIMDDASDLTILQYEELKKRC
KLYGMRLNNVEFSLKKSFVDNNRVAELIPQCDVILVNNFLFDEDLNKKVE
KILQTAKVGCKIISLKSLRSLTYQINFYNVENIFNRLKVQRYDLKEDSVS
WTHSGGEYYISTVMEDVDESLFSPAARRTPVKYTR
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 chain1u2z Chain C Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1u2z Structure of the conserved core of the yeast Dot1p, a nucleosomal histone H3 lysine 79 methyltransferase
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y370 G373 L375 D397 G399 C405 E422 I423 S459 F460
Binding residue
(residue number reindexed from 1)		Y178 G181 L183 D205 G207 C213 E230 I231 S267 F268
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.360: [histone H3]-lysine(79) N-trimethyltransferase.
Gene Ontology
Molecular Function
GO:0031151 histone H3K79 methyltransferase activity
GO:0042393 histone binding
Biological Process
GO:0000077 DNA damage checkpoint signaling
GO:0006281 DNA repair
GO:0031509 subtelomeric heterochromatin formation
GO:0051726 regulation of cell cycle
Cellular Component
GO:0000786 nucleosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1u2z, PDBe:1u2z, PDBj:1u2z
PDBsum1u2z
PubMed15292170
UniProtQ04089|DOT1_YEAST Histone-lysine N-methyltransferase, H3 lysine-79 specific (Gene Name=DOT1)

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