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Csl (rbp-jk) bound to hes-1 nonconsensus site

Analyse Csl (rbp-jk) bound to hes-1 nonconsensus site in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3IAG
Type
protein + DNA
Length
452 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*AP*CP*AP*CP*GP*AP*T)-3'…
UniProt
P31266
Ligands
XYL
Pockets
9 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*AP*CP*AP*CP*GP*AP*T)-3'dna15——
B5'-D(*TP*TP*AP*TP*CP*GP*TP*GP*TP*GP*AP*AP*AP*GP*A)-3'dna15——
CRecombining binding protein suppressor of hairlessprotein4229% helix, 44% strandP31266

Ligands and binding sites

  • XYL · Xylitol · ligand · chains A, B
  • EDO · 1,2-ethanediol · additive · 6 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15770.740.8145EDO
22220.530.7729empty
3740.490.8421EDO
4740.450.8116empty
5950.430.7823empty

Interfaces

3 interfaces between chains.

  • A–B · 581 Ų buried · 58 hydrogen bonds · nucleic-nucleic
  • A–C · 563 Ų buried · 12 hydrogen bonds · protein-nucleic
  • B–C · 539 Ų buried · 13 hydrogen bonds · protein-nucleic

Compared structures

  • 3IAG · CSL (RBP-Jk) bound to HES-1 nonconsensus site · the same entry in another collection · chain A against A, TM-score 1.00
  • P31266 · AlphaFold monomer V2.0 prediction for recombining binding protein suppressor of hairless… · a predicted model of the same protein · chain C against A, TM-score 0.98

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