Structure of PDB 7xxm Chain C Binding Site BS02

Receptor Information
>7xxm Chain C (length=472) Species: 285500 (Streptomyces luteocolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTDVIVVGNGVLGLSVGVEIARTRPDVRVTLLGKPGAMLGAFGEVTAHAL
ASEHGRKKHALAVQAQRLWPEWIESLEATGTAADGRIKTADDTVVLLNTV
GHSALDDANFAAVLTALKEANAPHEEIAVESVDWIDPDPNSRPLRALHIE
GEGSVDSGILLAALERSFLQAGGRLHPVDATEIRASHGRVEGVVTDDGDF
LPAGHVVVAAGARSQRLVAALPGLAHRIPRIYDGVGVSALVDTWDGSGPA
TVLRTSNRAFACGLHLVPRAGGSVYIGATNAVCLEPRGAASIEETVFLFN
CATHQLHRGLNGSELRKVQVGSRPAPIDGFPLIGGTSVEGLWMLSGTYRD
GLHMSPLLARHVVSLMDGGTGVDGLREFRPERDLISAWSREEILDDVVRH
TMATGYEFPWRLPLEWPHMMETFLQGPFAELADRLSDTYTPPADLMTAIM
FSEREQQDELIAYYADVHREWH
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain7xxm Chain C Residue 701 [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]
PDB7xxm N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Resolution2.119 Å
Binding residue
(original residue number in PDB)		G17 N18 G19 L21 A56 M57 D198 A199 A229 G230 R232 G255 G340 P343 T366 Y367 R368 D369 G370 L371 H372
Binding residue
(residue number reindexed from 1)		G8 N9 G10 L12 A37 M38 D179 A180 A210 G211 R213 G236 G321 P324 T347 Y348 R349 D350 G351 L352 H353
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7xxm, PDBe:7xxm, PDBj:7xxm
PDBsum7xxm
PubMed37137912
UniProtA0A125SZC1

[Back to BioLiP]