Structure of PDB 4qpn Chain A Binding Site BS01

Receptor Information
>4qpn Chain A (length=203) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADSYSEKSQFCFCGHVLTITQNFGSRLGVAARVWDAALSLCNYFESQNVD
FRGKKVIELGAGTGIVGILAALQGGDVTITDLPLALEQIQGNVQANVPAG
GQAQVRALSWGIDHHVFPANYDLVLGADIVYLEPTFPLLLGTLQHLCRPH
GTIYLASKMRKEHGTESFFQHLLPQHFQLELAQRDEDENVNIYRARHREP
RPA
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 chain4qpn Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qpn Crystal Structure of Human Methyltransferase-Like Protein 21B
Resolution1.25 Å
Binding residue
(original residue number in PDB)		A53 W57 A60 G83 A84 G85 D104 L105 W133 A150 D151 Y154
Binding residue
(residue number reindexed from 1)		A30 W34 A37 G60 A61 G62 D81 L82 W110 A127 D128 Y131
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0016279 protein-lysine N-methyltransferase activity
GO:0031072 heat shock protein binding
GO:0042054 histone methyltransferase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0018022 peptidyl-lysine methylation
GO:0032259 methylation
Cellular Component
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005813 centrosome
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4qpn, PDBe:4qpn, PDBj:4qpn
PDBsum4qpn
PubMed
UniProtQ96AZ1|EFMT3_HUMAN EEF1A lysine methyltransferase 3 (Gene Name=EEF1AKMT3)

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