Structure of PDB 2ob2 Chain A Binding Site BS01

Receptor Information
>2ob2 Chain A (length=327) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERIIQQTDYDALSCKLAAISVGYLPSSGLQRLSVDLSKKYTEWHRSYLIT
LKKFSRRAFGKVDKAMRSSFPVMNYGTYLRTVGIDAAILEFLVANEKVQV
VNLGCGSDLRMLPLLQMFPHLAYVDIDYNESVELKNSILRESEILRISLG
LSKEDTAKSPFLIDQGRYKLAACDLNDITETTRLLDVCTKREIPTIVISE
CLLCYMHNNESQLLINTIMSKFSHGLWISYDPIGGSQPNDRFGAIMQSNL
KESRNLEMPTLMTYNSKEKYASRWSAAPNVIVNDMWEIFNAQIPESERKR
LRSLQFLDELEELKVMQTHYILMKAQW
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 chain2ob2 Chain A Residue 1801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ob2 A method for the general identification of protein crystals in crystallization experiments using a noncovalent fluorescent dye.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		I5 T8 D9 R81 G105 C106 G107 D128 Y129 C174 D175 L176 N177 E201 L203
Binding residue
(residue number reindexed from 1)		I4 T7 D8 R80 G104 C105 G106 D127 Y128 C173 D174 L175 N176 E200 L202
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.233: [phosphatase 2A protein]-leucine-carboxy methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0018423 protein C-terminal leucine carboxyl O-methyltransferase activity
Biological Process
GO:0010506 regulation of autophagy
GO:0032259 methylation
GO:0065003 protein-containing complex assembly
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ob2, PDBe:2ob2, PDBj:2ob2
PDBsum2ob2
PubMed17372358
UniProtQ04081|LCMT1_YEAST Leucine carboxyl methyltransferase 1 (Gene Name=PPM1)

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