Structure of PDB 7uiy Chain C Binding Site BS03
Receptor Information
>7uiy Chain C (length=581) Species:
562
(Escherichia coli) [
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TENFTTNLNQLARVGGIDPLIGREKELERAIQVLCRRRKNNPLLVGESGV
GKTAIAEGLAWRIVQGDVPEVMADCTIYSLDIGSLLAGTKYRGDFEKRFK
ALLKQLEQDTNSILFIDEIHTIIGAGAASGGQVDAANLIKPLLSSGKIRV
IGSTTYQEFSNIFEKDRALARRFQKIDITEPSIEETVQIINGLKPKYEAH
HDVRYTAKAVRAAVELAVKYINDRHLPDKAIDVIDEAGARARLMPVSKRK
KTVNVADIESVVARIARIPEKSVSQSDRDTLKNLGDRLKMLVFGQDKAIE
ALTEAIKMARAGLGHEHKPVGSFLFAGPTGVGKTEVTVQLSKALGIELLR
FDMSEYMERHTVSRLIGAPPGYVGFDQGGLLTDAVIKHPHAVLLLDEIEK
AHPDVFNILLQVMDNGTLTDNNGRKADFRNVVLVMTTNAGVRETERKSIG
LIHQDNSTDAMEEIKKIFTPEFRNRLDNIIWFDHLSTDVIHQVVDKFIVE
LQVQLDQKGVSLEVSQEARNWLAEKGYDRAMGARPMARVIQDNLKKPLAN
ELLFGSLVDGGQVTVALDKEKNELTYGFQSA
Ligand information
Ligand ID
AGS
InChI
InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKey
NLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01
O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
Formula
C10 H16 N5 O12 P3 S
Name
PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBL
CHEMBL131890
DrugBank
DB02930
ZINC
ZINC000008295128
PDB chain
7uiy Chain C Residue 802 [
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Receptor-Ligand Complex Structure
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PDB
7uiy
AAA+ protease-adaptor structures reveal altered conformations and ring specialization.
Resolution
3.22 Å
Binding residue
(original residue number in PDB)
V460 F461 T497 G498 V499 G500 K501 T502 E503 N606 A701 R702
Binding residue
(residue number reindexed from 1)
V292 F293 T329 G330 V331 G332 K333 T334 E335 N438 A533 R534
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0004176
ATP-dependent peptidase activity
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0016887
ATP hydrolysis activity
Biological Process
GO:0006508
proteolysis
GO:0006515
protein quality control for misfolded or incompletely synthesized proteins
GO:0006979
response to oxidative stress
GO:0034605
cellular response to heat
GO:0043335
protein unfolding
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0009368
endopeptidase Clp complex
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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7uiy
,
PDBe:7uiy
,
PDBj:7uiy
PDBsum
7uiy
PubMed
36329286
UniProt
P0ABH9
|CLPA_ECOLI ATP-dependent Clp protease ATP-binding subunit ClpA (Gene Name=clpA)
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