Structure of PDB 6vfx Chain A Binding Site BS02
Receptor Information
>6vfx Chain A (length=340) Species:
487
(Neisseria meningitidis) [
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KLPTPAEIVANLNDHVIGQEQAKKALAVSVYNHYKRLRHPKAGANVELSK
SNILLIGPTGSGKTLLAQSLARKLDVPFVMADATTLTEAGYVGEDVEQII
TKLLGKCDFDVEKAQRGIVYIDQIDKISRKSDNPSITRDVSGEGVQQALL
KLIEGTVASVPPQGGEFINVDTTNILFICGGAFAGLEKVIRQRTEKGGIG
FGASVHNADITKLFGIVEPEDLIKFGLIPELIGRLPVIATLEILDEDALI
NILTEPKNALVKQYQALFGMENVELEFEEGALRSIARQAMERKTGARGLR
SIVERCLLDTMYRLPDLKGLKKVVVGKAVIEEGREPELVF
Ligand information
Ligand ID
ATP
InChI
InChI=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
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(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
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
6vfx Chain A Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
6vfx
A processive rotary mechanism couples substrate unfolding and proteolysis in the ClpXP degradation machinery.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
V78 I79 T121 G122 S123 G124 K125 T126 L127 I324 A368 R369
Binding residue
(residue number reindexed from 1)
V16 I17 T59 G60 S61 G62 K63 T64 L65 I252 A296 R297
Annotation score
5
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005524
ATP binding
GO:0008270
zinc ion binding
GO:0016887
ATP hydrolysis activity
GO:0046872
metal ion binding
GO:0046983
protein dimerization activity
GO:0051082
unfolded protein binding
GO:0140662
ATP-dependent protein folding chaperone
Biological Process
GO:0006457
protein folding
GO:0051301
cell division
GO:0051603
proteolysis involved in protein catabolic process
Cellular Component
GO:0009376
HslUV protease complex
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Cellular Component
External links
PDB
RCSB:6vfx
,
PDBe:6vfx
,
PDBj:6vfx
PDBsum
6vfx
PubMed
31916936
UniProt
Q9JYY3
|CLPX_NEIMB ATP-dependent Clp protease ATP-binding subunit ClpX (Gene Name=clpX)
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