Structure of PDB 7rc4 Chain A Binding Site BS01

Receptor Information
>7rc4 Chain A (length=375) Species: 1122240 (Microvirgula aerodenitrificans DSM 15089) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPPLATTIDRLRDYLDRVGFQQIYKYIVAVNHYAVTPALITRNTAASVHH
FFDSRLGGRAEFALLQCLMTGRPAEHAALPDKDRALADALVTAGLLRASP
DGREVSGADRQLISAFGVDLLIDRRIHFGGEVHEVYIGPASYWMLYYINA
SGIARTHRAVDLCTGSGIAALYLSLFTDHVLATDIGDVPLALVEINRRLN
RRDAGTMEIRRENLNDTLDGRERFDLLTCNPPFVAFPPGYSGTLYSQGTG
VDGLGYMRDIVGRLPEVLNPGGSAYLVADLCGDAHGPHFLGELESMVTGH
GMRIEAFIDHVLPASAQVGPISDFLRHAAGLPADTDIAADVQAFQRETLR
ADYYYLTTIRLQTAAQNPGLRMLRR
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 chain7rc4 Chain A Residue 401 [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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PDB7rc4 Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		Y137 S142 C164 T165 G166 D185 I186 N214 L215 N231 L245 Y246 Y257
Binding residue
(residue number reindexed from 1)		Y136 S141 C163 T164 G165 D184 I185 N213 L214 N230 L244 Y245 Y256
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7rc4, PDBe:7rc4, PDBj:7rc4
PDBsum7rc4
PubMed35316135
UniProtA0A2S0PEL5

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