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Phob effector domain in complex with pho box DNA.

Analyse Phob effector domain in complex with pho box DNA. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1GXP
Type
protein + DNA
Length
500 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphate regulon transcriptional regulatory protein…
UniProt
P08402
Pockets
9 · best druggability 0.59

Structure

x-ray diffraction · 5 distinct chains · 36% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphate regulon transcriptional regulatory proteinprotein10337% helix, 22% strandP08402
BPhosphate regulon transcriptional regulatory proteinprotein10137% helix, 22% strandP08402
C, G5'-D(*GP*AP*GP*CP*TP*GP*TP*CP*AP*TP* AP*AP*AP*GP*TP*TP*GP*TP*CP*AP*CP*GP*G)-3'dna23——
D, H5'-D(*CP*CP*CP*GP*TP*GP*AP*CP*AP*AP* CP*TP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*T)-3'dna23——
E, FPhosphate regulon transcriptional regulatory proteinprotein10234% helix, 22% strandP08402

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12830.590.7830empty
22520.570.7829empty
31360.430.7617empty
41580.420.7419empty
51410.400.7417empty

Interfaces

15 interfaces between chains.

  • C–D · 979 Ų buried · 72 hydrogen bonds · nucleic-nucleic
  • G–H · 978 Ų buried · 69 hydrogen bonds · nucleic-nucleic
  • F–H · 520 Ų buried · 14 hydrogen bonds · protein-nucleic
  • B–D · 513 Ų buried · 14 hydrogen bonds · protein-nucleic
  • E–G · 479 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 1GXP · PhoB effector domain in complex with pho box DNA. · the same entry in another collection · chain A against A, TM-score 1.00

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