Structure of PDB 5ftw Chain A Binding Site BS01

Receptor Information
>5ftw Chain A (length=255) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTYSVFTTKWKQLTGVDLTLYKEAQMKRRLTSLYEKKGFQSFKDFAAALE
KDQALLNETLDRMTINVSEFYRNYKRWEVLETAILPLIKTSRPLKIWSAA
CSTGEEPYTLAMLLDQQKGLPGYQILATDIDEKALEKAKKGVYQERSLQE
VPLSVKDRYFTQNANRSYEVKTEIKKNITFKKHNLLADRYEQDFDLIVCR
NVFIYFTESAKEELYLKMAHSLKKNGVLFVGSTEQIFNPEKFGLVPADTF
FYQKR
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 chain5ftw Chain A Residue 1257 [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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PDB5ftw Crystal Structure of Pentapeptide-Independent Chemotaxis Receptor Methyltransferase (Cher) Reveals Idiosyncratic Structural Determinants for Receptor Recognition.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y22 T65 S69 R73 A101 S103 E107 D130 I131 N185 L186 L187 R201 N202 V203
Binding residue
(residue number reindexed from 1)		Y21 T64 S68 R72 A100 S102 E106 D129 I130 N184 L185 L186 R200 N201 V202
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R30 D130
Catalytic site (residue number reindexed from 1) R29 D129
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:5ftw, PDBe:5ftw, PDBj:5ftw
PDBsum5ftw
PubMed27544050
UniProtP31105|CHER_BACSU Chemotaxis protein methyltransferase (Gene Name=cheR)

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