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MolNFT v1 · #86921 · protein

Crystal structure of full-length human suppressor of fused (sufu) mutant lacking a regulatory subdomain (crystal form I)

4BL9 · Maltose-binding periplasmic protein, suppressor of fused…: “Crystal structure of full-length human suppressor of fused (sufu) mutant lacking a regulatory subdomain…”. X-ray diffraction, 1 ligand (GLC), 20 pockets (best druggability…

PDB
4BL9
Type
protein
Length
2,899 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maltose-binding periplasmic protein, suppressor of fused homolog
UniProt
P0AEX9, Q9UMX1
Ligands
GLC
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 36% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaltose-binding periplasmic protein, suppressor of fused homologprotein72237% helix, 24% strandP0AEX9, Q9UMX1
BMaltose-binding periplasmic protein, suppressor of fused homologprotein72936% helix, 24% strandP0AEX9, Q9UMX1
CMaltose-binding periplasmic protein, suppressor of fused homologprotein72437% helix, 23% strandP0AEX9, Q9UMX1
DMaltose-binding periplasmic protein, suppressor of fused homologprotein72436% helix, 24% strandP0AEX9, Q9UMX1

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 8 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19700.790.81107GLC
25270.750.8268empty
33920.740.8445GLC
47290.730.7968empty
53690.730.8443GLC

Interfaces

4 interfaces between chains.

  • B–C · 1274 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 534 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 267 Ų buried · 2 hydrogen bonds · protein-protein
  • C–D · 62 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4BL9 · Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q9UMX1 · AlphaFold monomer V2.0 prediction for suppressor of fused homolog (Q9UMX1) · a predicted model of the same protein · chain C against A, TM-score 0.51

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