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MolNFT v1 · #108840 · protein

Crystal structure of RSA4 in complex with the NSA2 binding peptide

4WJV · Ribosome assembly protein 4: “Crystal structure of RSA4 in complex with the NSA2 binding peptide”. X-ray diffraction, 2 ligands (GLC, SO4), 20 pockets (best druggability 0.88). MolNFT v1 #108840 on GenesisL1: 3D structure, binding…

PDB
4WJV
Type
protein
Length
3,032 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribosome assembly protein 4; Maltose-binding periplasmic protein; Ribosome biogenesis…
UniProt
P25382, P0AEX9, P40078
Ligands
GLC, SO4
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 5 distinct chains · 32% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DRibosome assembly protein 4protein3787% helix, 46% strandP25382
E, G, HMaltose-binding periplasmic proteinprotein36945% helix, 20% strandP0AEX9
FMaltose-binding periplasmic proteinprotein36845% helix, 20% strandP0AEX9
I, J, LRibosome biogenesis protein NSA2protein110% helix, 0% strandP40078
KRibosome biogenesis protein NSA2protein120% helix, 0% strandP40078

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 8 copies · chains E, F, G, H
  • SO4 · Sulfate ion · ion · 10 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, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16710.880.9265empty
26530.880.9270empty
36400.880.9264empty
46000.870.9364empty
53390.760.8733GLC

Interfaces

16 interfaces between chains.

  • C–I · 688 Ų buried · 7 hydrogen bonds · protein-protein
  • B–L · 683 Ų buried · 4 hydrogen bonds · protein-protein
  • A–K · 666 Ų buried · 4 hydrogen bonds · protein-protein
  • D–J · 665 Ų buried · 4 hydrogen bonds · protein-protein
  • C–E · 373 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 4WJV · Crystal structure of Rsa4 in complex with the Nsa2 binding peptide · the same entry in another collection · chain L against L, TM-score 1.00

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