Structure of PDB 5v1t Chain A Binding Site BS06

Receptor Information
>5v1t Chain A (length=439) Species: 1307 (Streptococcus suis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRTISEDILFRLEKFGGILINKTNFERIELDETEAFFLYLVQNHGIEIAT
SFFKKEIEMGKLERALSLNIYSDNNIEDSLNNPYETLQNARKHVAKLKKH
NILSFPLELVIYPSMYCDLKCGFCFLANREDRNAKPAKDWERILRQAKDN
GVLSVSILGGEPTRYFDIDNLLIACEELKIKTTITTNAQLIKKSTVEILA
KSKYITPVLSLQTLDSKLNFELMGVRPDRQIKLAKYFNEVGKKCRINAVY
TKQSYEQIIELVDFCIENKIDRFSVANYSEVTGYTKIKKKYDLADLRRLN
EYVTDYITQREANLNFATEGCHLFTAYPELINNSIEFSEFDEMYYGCRAK
YTKMEIMSNGDILPCIAFLGVNQTKQNAFEKDLLDVWYDDPLYGGIRSFR
TKNSKCLSCGLLKICEGGCYVNLIKEKSPEYFRDSVCQL
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain5v1t Chain A Residue 605 [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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PDB5v1t Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F123 F125 T185 S210 N247 V249 S279 E319
Binding residue
(residue number reindexed from 1)		F123 F125 T185 S210 N247 V249 S279 E319
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:5v1t, PDBe:5v1t, PDBj:5v1t
PDBsum5v1t
PubMed28893989
UniProtA0A0Z8EWX1

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