Structure of PDB 4xcx Chain A Binding Site BS01

Receptor Information
>4xcx Chain A (length=216) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFKPPLYRQRYQFVKNLVDQHEPKKVADLGCGDTSLLRLLKVNPCIELLV
GVDINEDKLRWRGDSLAPFLGDFLKPRDLNLTITLYHGSVVERDSRLLGF
DLITCIELIEHLDSGDLARFPEVVFGYLSPSMIVISTPNSEFNPLDHKFE
WTRMEFQTWALYVANRYDYSVEFTGVGEPPGAENVGYCTQIGIFRKNQHD
QHVYKAVFTTSYPSLQ
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 chain4xcx Chain A Residue 400 [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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PDB4xcx Crystal structure of human C1ORF59 in complex with SAH
Resolution2.84 Å
Binding residue
(original residue number in PDB)		Y36 G55 D78 I79 K83 S114 V115 I131 L133 H136
Binding residue
(residue number reindexed from 1)		Y11 G30 D53 I54 K58 S89 V90 I106 L108 H111
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.386: small RNA 2'-O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008171 O-methyltransferase activity
GO:0008173 RNA methyltransferase activity
Biological Process
GO:0001510 RNA methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4xcx, PDBe:4xcx, PDBj:4xcx
PDBsum4xcx
PubMed
UniProtQ5T8I9|HENMT_HUMAN Small RNA 2'-O-methyltransferase (Gene Name=HENMT1)

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