Structure of PDB 7zpu Chain M Binding Site BS01

Receptor Information
>7zpu Chain M (length=319) Species: 937593 (Geobacillus stearothermophilus ATCC 7953) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDLGIDLGTANTLVYVKGKGIVLREPSVVAIQRDTKQIVAVGNEAKNMIG
RTPGNIVALRPMKADYETTATMMKYYIRKAIKFAGKPYVMVCVPYGITAV
EERAVIDATRQAGARDAYTIEEPFAAAIGANLPVWEPTGSMVVDIGGGTT
EVAVISLGGIVTSQSIRIAGDEMDEAIIQYIRKSYNLMIGERTAEAIKME
IGSAGNPEGIGNMEIRGRDLLTGLPKTIEISAEEVAEALRDTVYAIVESV
KNTLEKTPPELAADIMDRGIVLTGGGALLRNLDKVISQETDMPVIVAENP
LDCVAIGTGKALDHIDLFK
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 chain7zpu Chain M Residue 401 [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]
PDB7zpu Polymerization cycle of an actin homolog MreB from a Gram-positive bacterium
Resolution1.96 Å
Binding residue
(original residue number in PDB)		T15 N17 E136 G160 G161 G184 E209 K212 M213 G288 G289
Binding residue
(residue number reindexed from 1)		T9 N11 E122 G146 G147 G170 E195 K198 M199 G274 G275
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0005525 GTP binding
Biological Process
GO:0000902 cell morphogenesis
GO:0008360 regulation of cell shape
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7zpu, PDBe:7zpu, PDBj:7zpu
PDBsum7zpu
PubMed37818717
UniProtA0A150MJ77

[Back to BioLiP]