Structure of PDB 7swl Chain E Binding Site BS04

Receptor Information
>7swl Chain E (length=480) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSILDIAGVDDTLQRLLKEVWFPLRGGEACEKMGYRYDNGVLLHGPSGCG
KTTLAHAIAGSIGVAFIPVSAPSVIGGTSGESEKNIRDVFDEAIRLAPCL
IFLDQIDAIAGRRESANKGMESRIVAEIMNGMDRIRQNTPLGKNVVVLAA
TNRPEFLDPAIRRRFSVEIDMGMPSERAREQILRSLTRDLINFKELAKMT
PGYVGSDLQYVVKAAVSESFQAKITMEQFRKAVSLVQPASTIPDTTWSHV
GALEDVRKKLEMSIIGPIKNPELFTRVGIKPAAGILLWGPPGCGKTLVAK
AVANESKANFISIKGPELLNKYVGESERAVRQLFSRAKSSAPCILFFDQM
DALVPRRDDSLSDASARVVNTLLTELDGVGDRSGIYVIGATNRPDMIDEA
IRRPGRLGTSIYVGLPSAEDRVKILKTLYRNTVTTDADLEKVALDLSGAD
LGNLMQAAAQACLERVITMEDWEKALNEVK
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 chain7swl Chain E Residue 902 [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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PDB7swl Communication network within the essential AAA-ATPase Rix7 drives ribosome assembly.
Resolution2.88 Å
Binding residue
(original residue number in PDB)		D203 I204 A205 S245 G246 C247 G248 K249 T250 T251 I380 G408 S409 Q412
Binding residue
(residue number reindexed from 1)		D5 I6 A7 S47 G48 C49 G50 K51 T52 T53 I182 G205 S206 Q209
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:7swl, PDBe:7swl, PDBj:7swl
PDBsum7swl
PubMed36090660
UniProtG0RZG1

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