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Crystal structure of the yeast RSC2 bah domain

Analyse Crystal structure of the yeast RSC2 bah domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4BB7
Type
protein
Length
938 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chromatin structure-remodeling complex subunit RSC2
UniProt
Q06488
Ligands
SO4, CL
Pockets
12 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 9% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChromatin structure-remodeling complex subunit RSC2protein2359% helix, 39% strandQ06488
BChromatin structure-remodeling complex subunit RSC2protein2349% helix, 38% strandQ06488
CChromatin structure-remodeling complex subunit RSC2protein2348% helix, 38% strandQ06488
DChromatin structure-remodeling complex subunit RSC2protein2359% helix, 37% strandQ06488

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D
  • CL · Chloride ion · ion · 8 copies · chains A, B, C, D
  • GOL · Glycerol · additive · chains D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19940.750.7884empty
21520.510.7931empty
31490.500.7828empty
41180.460.7821empty
5690.350.7719empty

Interfaces

5 interfaces between chains.

  • A–B · 447 Ų buried · 2 hydrogen bonds · protein-protein
  • C–D · 361 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 259 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 74 Ų buried · 0 hydrogen bonds · protein-protein
  • B–D · 15 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4BB7 · Crystal structure of the yeast Rsc2 BAH domain · the same entry in another collection · chain D against D, TM-score 1.00
  • Q06488 · AlphaFold monomer V2.0 prediction for chromatin structure-remodeling complex subunit RSC2… · a predicted model of the same protein · chain C against A, TM-score 0.99

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