Structure of PDB 4lec Chain B Binding Site BS01

Receptor Information
>4lec Chain B (length=201) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKFHKPLATFSFANHTIQIRQDWRHLGVAAVVWDAAIVLSTYLEMGAVEL
RGRSAVELGAGTGLVGIVAALLGAHVTITDRKVALEFLKSNVQANLPPHI
QTKTVVKELTWGQNLGSFSPGEFDLILGADIIYLEETFTDLLQTLEHLCS
NHSVILLACRIRYERDNNFLAMLERQFTVRKVHYDPEKDVHIYEAQKRNQ
K
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 chain4lec Chain B Residue 301 [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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PDB4lec The Crystal Structure of Human Methyltransferase-Like Protein 21A in Complex with SAH
Resolution2.28 Å
Binding residue
(original residue number in PDB)		A43 W47 A50 G73 A74 G75 D94 R95 W125 A143 D144 Y147
Binding residue
(residue number reindexed from 1)		A29 W33 A36 G59 A60 G61 D80 R81 W111 A129 D130 Y133
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0008276 protein methyltransferase activity
GO:0016279 protein-lysine N-methyltransferase activity
GO:0030544 Hsp70 protein binding
GO:0031072 heat shock protein binding
GO:0042054 histone methyltransferase activity
GO:0051117 ATPase binding
Biological Process
GO:0006338 chromatin remodeling
GO:0006479 protein methylation
GO:0018022 peptidyl-lysine methylation
GO:0032259 methylation
GO:0043462 regulation of ATP-dependent activity
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4lec, PDBe:4lec, PDBj:4lec
PDBsum4lec
PubMed
UniProtQ8WXB1|MT21A_HUMAN Protein N-lysine methyltransferase METTL21A (Gene Name=METTL21A)

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