Structure of PDB 7nhn Chain 0 Binding Site BS05

Receptor Information
>7nhn Chain 0 (length=461) Species: 169963 (Listeria monocytogenes EGD-e) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIEINQLKIEVADRVLVEIPHLLVSKKARIGIIGQNGLGKTTLMEVIAGA
KEATSGTVTTQGKLAYIKQLSTDTSTKSGGEKTRKATQHAMRQNPSVLLA
DQPTSNLDVESVKHLERQWSDFHGALIIISHDRAFLDALCTEIWEIKNQK
IHVYKGNYHAYLEQKQQQENQAELAYKEFKNKKKQLQASQTHHEIEAGRI
VKPGKRLNNKEASAFKAGKGTQQKKQHSTIKALEKRIERLGNVEKPHTTK
PIKIITPDNRVIKKGNTILSAKETAYEIAGRKLFETKAFSIKAGDKVALI
GENASGKTTFLKEIIQENPNLLCNPQAKIAYFDQELNGLNQTKSLLENIS
EISVQTKQVNREVLGSMHFKESDLHKEVRMLSGGERVKLLLSMLLLSDAN
FLILDQPTNYLDIYAMEALETLIKQFAGTVLFVSHDRTFVNHVAEQLLVI
ENNEMNFHRMT
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(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)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7nhn Chain 0 Residue 602 [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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PDB7nhn Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		V13 R16 N38 G41 K42 T43 T44 Q71 K378 M382 S384 G386 E387
Binding residue
(residue number reindexed from 1)		V11 R14 N36 G39 K40 T41 T42 Q69 K376 M380 S382 G384 E385
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:7nhn, PDBe:7nhn, PDBj:7nhn
PDBsum7nhn
PubMed34117249
UniProtQ8Y8I3

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