Structure of PDB 7uch Chain A Binding Site BS03

Receptor Information
>7uch Chain A (length=636) Species: 207920 (Moorena bouillonii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQSNALDKINRYAHGFVAVPVICACSEAGVFELLSQKKSLKLEEIVE
HLAANSGHLMVAMRLLESLSFLYRSQAEEYILTEQSQQHQIIPKALMSLY
KYPFELYLKGEVETGISNWINCSSRRWDTENSLLSDLLDGVLLIPLLLEL
KKQNLLDESKKIFNTLTNSLKQELSTLFINLGWAEEKTEGLYLTDIGRFM
RDRSLNLGTTASYAPMLLQMKELLFGNPQRVFQRNKTEKERHVNRTLNVV
ASGFQHEKFFADTDKIIISIFNQQPIEEQPIYIVDMGCGDGTLLKRIYKI
IKQFSARGKVLTEYPIIMVGVDYNQEALDVTDKNLVDIPHLVIPGDIGAP
EKLLEQLKAQGIEPEKVLHIRSFLDHDRPFIAPKNTEIAQARSQLDYQVV
DVDREGKLIPPHIAVQSLVEHLERWSSIITRHGLLLLEVHSLTPAVVKKY
IDESESLHFDAYHAFSMQHLVEADVFLMAAAEVGLFSRKEAFRKYPKTLP
LTRITVNHFEKRKYQIRYATVNDIPNLLKCATFNPPVNEPFFQVLLKQTP
TAHLLLEYQGELVAAIFTETKNSNEVLGIREFLVRTSVENWQVLAKDLLE
FVEQWGVVKPGIKEIEGLLKYHEAISNFQKSKWYQS
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 chain7uch Chain A Residue 804 [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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PDB7uch Structural Basis for Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases.
Resolution2.18 Å
Binding residue
(original residue number in PDB)		H249 F253 G280 D315 Y316 D339 I340 S365
Binding residue
(residue number reindexed from 1)		H256 F260 G287 D322 Y323 D346 I347 S372
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links