Structure of PDB 7e7r Chain B Binding Site BS02

Receptor Information
>7e7r Chain B (length=258) Species: 305 (Ralstonia solanacearum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSVQTAATSWGTVPSIAVYTANNGKITERCWDGKGWYTGAFNEPGDNVSV
TSWLVGSAIHIRVYASTGTTTTEWCWDGNGWTKGAYTGDQTAATSWGVPS
IAVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYA
STGTTTTEWCWDGNGWTKGAYTGDQTAATSWGTVPSIAVYTANNGKITER
CWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYASTGTTTTEWCWDGN
GWTKGAYT
Ligand information
Ligand IDR2F
InChIInChI=1S/C41H53N5O9/c1-6-44(7-2)28-14-16-32-34(22-28)55-35-23-29(45(8-3)9-4)15-17-33(35)36(32)30-12-10-11-13-31(30)40(50)52-21-20-51-19-18-46-24-27(42-43-46)25-53-41-39(49)38(48)37(47)26(5)54-41/h10-17,22-24,26,36-39,41,47-49H,6-9,18-21,25H2,1-5H3/t26-,37+,38+,39-,41+/m0/s1
InChIKeyODXMNHGJTHCYBO-XFBFBVLGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC
OpenEye OEToolkits 2.0.7CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCn5cc(nn5)COC6C(C(C(C(O6)C)O)O)O)N(CC)CC
CACTVS 3.385CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5
CACTVS 3.385CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCn5cc(CO[CH]6O[CH](C)[CH](O)[CH](O)[CH]6O)nn5
FormulaC41 H53 N5 O9
Name2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate
ChEMBL
DrugBank
ZINC
PDB chain7e7r Chain B Residue 302 [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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PDB7e7r Crystal structure of RSL mutant-R17A/R108A/R199A in complex with R3F
Resolution1.82 Å
Binding residue
(original residue number in PDB)
R62 E73 A85 W122 G124 W127
Binding residue
(residue number reindexed from 1)
R62 E73 A85 W116 G118 W121
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links