Structure of PDB 6kds Chain A Binding Site BS02

Receptor Information
>6kds Chain A (length=221) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMVINGEMQFYARAKLFYQEVPATEEGMMGNFIELSSPDIQASQKFLRK
FVGGPGRAGTDCALDCGSGIGRVSKHVLLPVFNSVELVDMMESFLLEAQN
YLQVKGDKVESYHCYSLQEFTPPFRRYDVIWIQWVSGHLTDKDLLAFLSR
CRDGLKENGIIILKDNVAREGCILDLSDSSVTRDMDILRSLIRKSGLVVL
GQEKQDGFPEQCIPVWMFALH
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 chain6kds Chain A Residue 501 [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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PDB6kds Substrate engagement regulates state-specific alpha-N methylation of CENP-A by NRMT2
Resolution1.844 Å
Binding residue
(original residue number in PDB)		Y76 G124 G126 R129 D146 M147 F151 S173 L174 Q190 W191 V192 H195
Binding residue
(residue number reindexed from 1)		Y19 G67 G69 R72 D89 M90 F94 S116 L117 Q133 W134 V135 H138
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.299: protein N-terminal monomethyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0006480 N-terminal protein amino acid methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:6kds, PDBe:6kds, PDBj:6kds
PDBsum6kds
PubMed
UniProtQ5VVY1|NTM1B_HUMAN N-terminal Xaa-Pro-Lys N-methyltransferase 2 (Gene Name=NTMT2)

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