Structure of PDB 4a2n Chain B Binding Site BS01

Receptor Information
>4a2n Chain B (length=192) Species: 2214 (Methanosarcina acetivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNENLWKICFIVMFIIWVFVRKVYGTRAMKNKSKKKVRPNFEKSLVFLNF
IGMVFLPLTAVFSSYLDSFNINLPDSIRLFALIVTFLNIGLFTKIHKDLG
NNWSAILEIKDGHKLVKEGIYKNIRHPMYAHLWLWVITQGIILSNWVVLI
FGIVAWAILYFIRVPKEEELLIEEFGDEYIEYMGKTGRLFPK
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 chain4a2n Chain B Residue 1193 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4a2n Mechanism of Isoprenylcysteine Carboxyl Methylation from the Crystal Structure of the Integral Membrane Methyltransferase Icmt.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		S104 L107 E108 H113 L115 V116 Y121 H126 P127 M128 Y129 E167 L171
Binding residue
(residue number reindexed from 1)		S104 L107 E108 H113 L115 V116 Y121 H126 P127 M128 Y129 E167 L171
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.100: protein-S-isoprenylcysteine O-methyltransferase.
Gene Ontology
Molecular Function
GO:0004671 protein C-terminal S-isoprenylcysteine carboxyl O-methyltransferase activity
GO:0008168 methyltransferase activity
GO:0016740 transferase activity
Biological Process
GO:0006481 C-terminal protein methylation
GO:0032259 methylation
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4a2n, PDBe:4a2n, PDBj:4a2n
PDBsum4a2n
PubMed22195972
UniProtQ8TMG0|ICMT_METAC Protein-S-isoprenylcysteine O-methyltransferase (Gene Name=MA_2698)

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