Structure of PDB 6d6y Chain A Binding Site BS01

Receptor Information
>6d6y Chain A (length=511) Species: 207920 (Moorena bouillonii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYQIRYATVNDIPNLLKCATFNQPVNEPFFQVLLKQTPTAHLLLEYQGEL
VAAIFTETKNSNEVLGIREFLVRTSVENWQVLAKDLLEFVEQWGVVKPGI
KEIEGLLKYHEAISNFQKSKWYQSSVLNKKLIEKITLHELATLELCNLMA
PEYELEAFAARWLLRVFQDMGVFLREGESYQESELVSQLNISPRYQRLLG
ALLQILHKRGILKIEKDRVFTLARCKTFALENISSEVSAFYDYFSEKYPA
HLSWLTVVKRCLEKYPLILRGEVDVNEVVFTDGDMELFAGLFLGHRVADY
FNELLADGVCWEVEQRLLEEKRAQPIRILEIGAGTGGVTGILLEKLASHA
EQIEFWFTDISSVFTRYGESKFKQFPWVKYQTFDIEKSLDAQGIKSESFD
VVIANNVLHNTKLIHQTLNNSNSLLNTGGLLALLEFTQPIDILLYFGGLL
QGFWLFEDPEYRLEVGCLLSIPLWQKVLSDCGFDEIIPLGLPCEMHALSK
ARESVIFARKH
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 chain6d6y Chain A Residue 1102 [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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PDB6d6y Biosynthesis of t-Butyl in Apratoxin A: Functional Analysis and Architecture of a PKS Loading Module.
Resolution2.246 Å
Binding residue
(original residue number in PDB)		G837 A838 G839 T840 D864 I865 F869 D889 I890 N910
Binding residue
(residue number reindexed from 1)		G332 A333 G334 T335 D359 I360 F364 D384 I385 N405
Annotation score4
Enzymatic activity
Enzyme Commision number 2.1.1.-
External links