Structure of PDB 7xxp Chain C Binding Site BS03

Receptor Information
>7xxp Chain C (length=482) Species: 285500 (Streptomyces luteocolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTDVIVVGNGVLGLSVGVEIARTRPDVRVTLLGKPARQYGATPAAGAMLG
AFGEVTAHALASEHGRKKHALAVQAQRLWPEWIESLEATGTAADGRIKTA
DDTVVLLNTVGHSALDDANFAAVLTALKEANAPHEEIAVESVDWIDPDPN
SRPLRALHIEGEGSVDSGILLAALERSFLQAGGRLHPVDATEIRASHGRV
EGVVTDDGDFLPAGHVVVAAGARSQRLVAALPGLAHRIPRIYDGVGVSAL
VDTWDGSGPATVLRTSNRAFACGLHLVPRAGGSVYIGATNAVCLEPRGAA
SIEETVALFNCATHQLHRGLNGSELRKVQVGSRPAPIDGFPLIGGTSVEG
LWMLSGTYRDGLHMSPLLARHVVSLMDGGTGVDGLREFRPERDLISAWSR
EEILDDVVRHTMATGYEFPWRLPLEWPHMMETFLQGPFAELADRLSDTYT
PPADLMTAIMFSEREQQDELIAYYADVHREWH
Ligand information
Ligand IDOI9
InChIInChI=1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,17+/m0/s1
InChIKeyNRAUADCLPJTGSF-VLSXYIQESA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCCC[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](O)CNC3=O
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O
OpenEye OEToolkits 2.0.7C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCN)N)O
ACDLabs 12.01NCCCC(N)CC(=O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O
CACTVS 3.385NCCC[C@H](N)CC(=O)N[C@@H]1[C@H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC2=N[C@H]3[C@H](N2)[C@H](O)CNC3=O
FormulaC19 H34 N8 O8
NameStreptothricin F
ChEMBLCHEMBL4448608
DrugBank
ZINCZINC000060183503
PDB chain7xxp Chain C Residue 703 [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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PDB7xxp N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Resolution2.052 Å
Binding residue
(original residue number in PDB)		N299 S310 E312 T423 T466 F470
Binding residue
(residue number reindexed from 1)		N290 S301 E303 T414 T457 F461
Annotation score1
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:7xxp, PDBe:7xxp, PDBj:7xxp
PDBsum7xxp
PubMed37137912
UniProtA0A125SZC1

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