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Crystal structure of the P.AEROPHILUM SMAP1 heptamer in a new crystal form (C2221)

Analyse Crystal structure of the P.AEROPHILUM SMAP1 heptamer in a new crystal form… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LNX
Type
protein
Length
513 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Small nuclear ribonucleoprotein homolog (sm-like)
UniProt
Q8ZYG5
Ligands
URI
Pockets
9 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 16% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, FSmall nuclear ribonucleoprotein homolog (sm-like)protein7415% helix, 57% strandQ8ZYG5
B, C, D, E, GSmall nuclear ribonucleoprotein homolog (sm-like)protein7318% helix, 58% strandQ8ZYG5

Ligands and binding sites

  • URI · Uridine · ligand · 7 copies · chains A, B, C, D, E, F, G
  • GOL · Glycerol · additive · 10 copies · chains A, B, C, D, E, F, G
  • ACY · Acetic acid · additive · 2 copies · chains A, B, C, D, E, F, G

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12860.580.7929ACY
22190.480.7562GOL
3860.390.7716URI
4720.370.7718URI
5730.350.7618URI

Interfaces

14 interfaces between chains.

  • C–D · 924 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 922 Ų buried · 18 hydrogen bonds · protein-protein
  • E–F · 920 Ų buried · 19 hydrogen bonds · protein-protein
  • A–G · 919 Ų buried · 19 hydrogen bonds · protein-protein
  • D–E · 910 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 1LNX · Crystal structure of the P.aerophilum SmAP1 heptamer in a new crystal form (C2221) · the same entry in another collection · chain A against A, TM-score 1.00

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