Structure of PDB 7msm Chain x Binding Site BS04
Receptor Information
>7msm Chain x (length=553) Species:
83332
(Mycobacterium tuberculosis H37Rv) [
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AEFIYTMKKVRKAHGDKVILDDVTLSFYPGAKIGVVGPNGAGKSSVLRIM
AGLDKPNNGDAFLATGATVGILQQEPPLNEDKTVRGNVEEGMGDIKIKLD
RFNEVAELMATDYTDELMEEMGRLQEELDHADAWDLDAQLEQAMDALRCP
PADEPVTNLSGGERRRVALCKLLLSKPDLLLLDEPTNHLDAESVQWLEQH
LASYPGAILAVTHDRYFLDNVAEWILELDRGRAYPYEGNYSTYLEKKAER
LAVQGRKDAKLQKRLTEELAWVRSGAKARQAKSKARLQRYEEMAAEAEKT
RKLDFEEIQIPVGPRLGNVVVEVDHLDKGYDGRALIKDLSFSLPRNGIVG
VIGPNGVGKTTLFKTIVGLETPDSGSVKVGETVKLSYVDQARAGIDPRKT
VWEVVSDGLDYIQVGQTEVPSRAYVSAFGFKGPDQQKPAGVLSGGERNRL
NLALTLKQGGNLILLDEPTNDLDVETLGSLENALLNFPGCAVVISHDRWF
LDRTCTHILAWEGDDDNEAKWFWFEGNFGAYEENKVERLGVDAAVTHRKL
TRG
Ligand information
Ligand ID
ADP
InChI
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
7msm Chain x Residue 601 [
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Receptor-Ligand Complex Structure
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PDB
7msm
Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Resolution
2.79 Å
Binding residue
(original residue number in PDB)
H15 K18 G41 G43 K44 S45 S46 Q75 K438 V442 S444
Binding residue
(residue number reindexed from 1)
H14 K17 G40 G42 K43 S44 S45 Q74 K437 V441 S443
Annotation score
5
Enzymatic activity
Enzyme Commision number
3.6.1.-
Gene Ontology
Molecular Function
GO:0000049
tRNA binding
GO:0005524
ATP binding
GO:0016787
hydrolase activity
GO:0016887
ATP hydrolysis activity
GO:0019843
rRNA binding
GO:0043022
ribosome binding
Biological Process
GO:0006412
translation
GO:0006417
regulation of translation
GO:0045900
negative regulation of translational elongation
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0005886
plasma membrane
GO:0009274
peptidoglycan-based cell wall
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7msm
,
PDBe:7msm
,
PDBj:7msm
PDBsum
7msm
PubMed
35064151
UniProt
P9WQK3
|ETTA_MYCTU Energy-dependent translational throttle protein EttA (Gene Name=ettA)
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