Structure of PDB 5ul4 Chain A Binding Site BS03

Receptor Information
>5ul4 Chain A (length=729) Species: 1404 (Priestia megaterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSTKSIEYYLKELKEIFSQIWLKPSEIEKRCEELFKRSKEFDYKRILVSG
ETDNTTLYVIEDSSKIHVFSPNRDLRENPLLMRWHPSWYEIESKEIYYKC
FLSCEELYEHLELPTVTLVNLCVIENFPIPRLNLSTGTLSSYLRKEQLAK
VELIDMQVGTTINQIIKNLLDSQPDIIGLSVNFGQKKLAFEILDLIYSHI
ENGDLSSIITVGNVIPSFSPEQFFERYPSLLICDKEGEYTLRDLIKMLKK
ELKLDEVNGISYVDESGEVKHNVAETVNFKEEVPTPSLDILGEISKFRGA
LTLETSRGCDYSRCTFCPRDHKLRSWRPLSVEQTLKQLDDILRAGKHFNI
KPHIYMADEEFIGELPNGTEAQRIIDICEGLLKREEKIKFDFAARADSVY
EPKRTKEWNVERLKMWHYCALAGADRIFIGVESGSNQQLKRYGKGTTSEQ
NIIALRLVSALGINLRIGFIMFDQLMKGLDNLKENLDFLERTDALMKPID
IGDMTYEELYDKLLNDKEFIEKHKTGKPVYTIVSYMLASMEILMNTPYSR
MVQLTERKEEVNLIMNDGKPDMNMGRYATSFVDKTNGNLSEACQMWIDSN
FGVMYTIKSLHKVANPREKKKLYSYMETHREISHFLLKYLVYNLSPDKES
QIILSDFLRMHSMEHILDNVGDGSKENILNVMTNWQLIMEKLLRDVEADL
NKGIITDSEDHRLHNTLKRWFSDMGNWSL
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 chain5ul4 Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5ul4 A B12-dependent radical SAM enzyme involved in oxetanocin A biosynthesis.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		F432 E436 G472 I474 M544 E545
Binding residue
(residue number reindexed from 1)		F428 E432 G468 I470 M540 E541
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0031419 cobalamin binding
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:5ul4, PDBe:5ul4, PDBj:5ul4
PDBsum5ul4
PubMed28346939
UniProtO24770

[Back to BioLiP]