Structure of PDB 1af7 Chain A Binding Site BS01

Receptor Information
>1af7 Chain A (length=274) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVLLQMTQRLALSDAHFRRICQLIYQRAGIVLADHKRDMVYNRLVRRLRA
LGLDDFGRYLSMLEANQNSAEWQAFINALTTNLTAFFREAHHFPILAEHA
RRRHGEYRVWSAAASTGEEPYSIAITLADALGMAPGRWKVFASDIDTEVL
EKARSGIYRLSELKTLSPQQLQRYFMRGTGPHEGLVRVRQELANYVEFSS
VNLLEKQYNVPGPFDAIFCRNVMIYFDKTTQEDILRRFVPLLKPDGLLFA
GHSENFSNLVREFSLRGQTVYALS
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 chain1af7 Chain A Residue 287 [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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PDB1af7 Crystal structure of the chemotaxis receptor methyltransferase CheR suggests a conserved structural motif for binding S-adenosylmethionine.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T91 N92 T94 R98 A123 E129 D154 I155 N212 L213 R230 N231 V232 F236
Binding residue
(residue number reindexed from 1)		T81 N82 T84 R88 A113 E119 D144 I145 N202 L203 R220 N221 V222 F226
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R53 D154
Catalytic site (residue number reindexed from 1) R43 D144
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:1af7, PDBe:1af7, PDBj:1af7
PDBsum1af7
PubMed9115443
UniProtP07801|CHER_SALTY Chemotaxis protein methyltransferase (Gene Name=cheR)

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