Structure of PDB 3iei Chain A Binding Site BS01

Receptor Information
>3iei Chain A (length=310) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVRGTCEDASLCKRFAVSIGYWHDPYIQHFVRLSKERKAPEINRGYFARV
HGVSQLIKAFLRKTECHCQIVNLGAGMDTTFWRLKDEDLLSSKYFEVDFP
MIVTRKLHSIKCKPPLSSPILELHSEDTLQMDGHILDSKRYAVIGADLRD
LSELEEKLKKCNMNTQLPTLLIAECVLVYMTPEQSANLLKWAANSFERAM
FINYEQVNMGDRFGQIMIENLRRRQCDLAGVETCKSLESQKERLLSNGWE
TASAVDMMELYNRLPRAEVSRIESLEFLDEMELLEQLMRHYCLCWATKGG
NELGLKEITY
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 chain3iei Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3iei Structural Insights into Novel Functions of a pro-survival PP2A-specific Methyltransferase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V26 T29 C30 K37 R73 G98 A99 D122 F123 D171 L172 R173 E198
Binding residue
(residue number reindexed from 1)		V2 T5 C6 K13 R49 G74 A75 D98 F99 D147 L148 R149 E174
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.233: [phosphatase 2A protein]-leucine-carboxy methyltransferase.
Gene Ontology
Molecular Function
GO:0003880 protein C-terminal carboxyl O-methyltransferase activity
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0008276 protein methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0018423 protein C-terminal leucine carboxyl O-methyltransferase activity
Biological Process
GO:0000086 G2/M transition of mitotic cell cycle
GO:0006479 protein methylation
GO:0006481 C-terminal protein methylation
GO:0010906 regulation of glucose metabolic process
GO:0031333 negative regulation of protein-containing complex assembly
GO:0032259 methylation
GO:0036211 protein modification process
GO:0042981 regulation of apoptotic process
GO:0090266 regulation of mitotic cell cycle spindle assembly checkpoint
Cellular Component
GO:0005654 nucleoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3iei, PDBe:3iei, PDBj:3iei
PDBsum3iei
PubMed
UniProtQ9UIC8|LCMT1_HUMAN Leucine carboxyl methyltransferase 1 (Gene Name=LCMT1)

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