Structure of PDB 4lg1 Chain B Binding Site BS01

Receptor Information
>4lg1 Chain B (length=213) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSFVRVLEKRDGTVLRLQQYSSGGVGCVVWDAAIVLSKYLETPEFSGDGA
HALSRRSVLELGSGTGAVGLMAATLGADVVVTDLEELQDLLKMNINMNKH
LVTGSVQAKVLKWGEEIEPSPPDFILMADCIYYEESLEPLLKTLKDISGF
ETCIICCYEQRTMGKNPEIEKKYFELLQLDFDFEKIPLEKHDEEYRSEDI
HIIYIRKKKSKFP
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain4lg1 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4lg1 The Crystal Structure of Human Methyltransferase-Like Protein 21D in Complex with SAM
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W43 A46 G75 G77 D96 L97 K125 W126 A143 Y147 Y148
Binding residue
(residue number reindexed from 1)		W30 A33 G62 G64 D83 L84 K112 W113 A128 Y132 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:0042054 histone methyltransferase activity
GO:0051117 ATPase binding
Biological Process
GO:0006338 chromatin remodeling
GO:0018022 peptidyl-lysine methylation
GO:0018023 peptidyl-lysine trimethylation
GO:0032259 methylation
GO:0032780 negative regulation of ATP-dependent activity
Cellular Component
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:4lg1, PDBe:4lg1, PDBj:4lg1
PDBsum4lg1
PubMed
UniProtQ9H867|MT21D_HUMAN Protein N-lysine methyltransferase METTL21D (Gene Name=VCPKMT)

[Back to BioLiP]