Structure of PDB 1bc5 Chain A Binding Site BS02

Receptor Information
>1bc5 Chain A (length=269) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTQRLALSDAHFRRICQLIYQRAGIVLADHKRDMVYNRLVRRLRALGLDD
FGRYLSMLEANQNSAEWQAFINALTTNLTAFFREAHHFPILAEHARRRHG
EYRVWSAAASTGEEPYSIAITLADALGMAPGRWKVFASDIDTEVLEKARS
GIYRLSELKTLSPQQLQRYFMRGTGPHEGLVRVRQELANYVEFSSVNLLE
KQYNVPGPFDAIFCRNVMIYFDKTTQEDILRRFVPLLKPDGLLFAGHSEN
FSNLVREFSLRGQTVYALS
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 chain1bc5 Chain A Residue 287 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bc5 Chemotaxis receptor recognition by protein methyltransferase CheR.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T90 T91 N92 L93 T94 R98 A123 S125 E129 D154 I155 N212 L213 R230 N231 F236
Binding residue
(residue number reindexed from 1)		T75 T76 N77 L78 T79 R83 A108 S110 E114 D139 I140 N197 L198 R215 N216 F221
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.80: protein-glutamate O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0008983 protein-glutamate O-methyltransferase activity
Biological Process
GO:0006935 chemotaxis
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1bc5, PDBe:1bc5, PDBj:1bc5
PDBsum1bc5
PubMed9628482
UniProtP07801|CHER_SALTY Chemotaxis protein methyltransferase (Gene Name=cheR)

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