Structure of PDB 6b39 Chain A Binding Site BS01

Receptor Information
>6b39 Chain A (length=624) Species: 207920 (Moorena bouillonii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENLYFQSNALDKINRYAHGFVAVPVICACSEAGVFELLSQKKSLKLEEIV
EHLAANSGHLMVAMRLLESLSFLYRSQAEEYILTEQSQQHQIIPKALMSL
YKYPFELYLKGEVETGISNWINCSSRRWDTENSLLSDLLDGVLLIPLLLE
LKKQNLLDESKKIFNTLTNSLKQELSTLFINLGWAEEKTEGLYLTDIGRF
MRDRSLNLGTTASYAPMLLQMKELLFGNPQRVFQRNVVASGFQHEKFFAD
TDKIIISIFNQQPIEEQPIYIVDMGCGDGTLLKRIYKIIKQFSARGKVLT
EYPIIMVGVDYNQEALDVTDKNLVDIPHLVIPGDIGAPEKLLEQLKAQGI
EPEKVLHIRSFLDHDRPFIAPKNTEIAQARSQLDYQVVDVDREGKLIPPH
IAVQSLVEHLERWSSIITRHGLLLLEVHSLTPAVVKKYIDESESLHFDAY
HAFSMQHLVEADVFLMAAAEVGLFSRKEAFRKYPKTLPLTRITVNHFEKR
KYQIRYATVNDIPNLLKCATFNPPVNEPFFQVLLKQTPTAHLLLEYQGEL
VAAIFTETKNSNEVLGIREFLVRTSVENWQVLAKDLLEFVEQWGVVKPGI
KEIEGLLKYHEAISNFQKSKWYQS
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 chain6b39 Chain A Residue 712 [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]
PDB6b39 A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
Resolution2.392 Å
Binding residue
(original residue number in PDB)		V242 A244 G280 D315 Y316 D339 F366 H369
Binding residue
(residue number reindexed from 1)		V237 A239 G275 D310 Y311 D334 F361 H364
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links