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Crystal structure of the second kh domain of FUBP1

Analyse Crystal structure of the second kh domain of FUBP1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Y2D
Type
protein
Length
277 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Far upstream element-binding protein 1
UniProt
Q96AE4
Ligands
SO4
Pockets
6 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 50% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFar upstream element-binding protein 1protein6555% helix, 28% strandQ96AE4
BFar upstream element-binding protein 1protein7051% helix, 26% strandQ96AE4
CFar upstream element-binding protein 1protein6841% helix, 26% strandQ96AE4
DFar upstream element-binding protein 1protein7453% helix, 24% strandQ96AE4

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D
  • GOL · Glycerol · additive · chains B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13070.680.8329GOL
21540.530.7926empty
31000.460.8019empty
41460.430.7519empty
51240.430.7619empty

Interfaces

5 interfaces between chains.

  • C–D · 684 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 570 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 549 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 512 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 62 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6Y2D · Crystal structure of the second KH domain of FUBP1 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q96AE4 · AlphaFold monomer V2.0 prediction for far upstream element-binding protein 1 (Q96AE4) · a predicted model of the same protein · chain B against A, TM-score 0.95

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