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MolNFT v1 · #14324 · protein

Crystal structure of a novel sm-like archaeal protein from pyrobaculum aerophilum

1M5Q · Small nuclear ribonucleoprotein homolog: “Crystal structure of a novel sm-like archaeal protein from pyrobaculum aerophilum”. X-ray diffraction, 2 ligands (CD, NA), 20 pockets (best druggability 0.81). MolNFT v1 #14324 on GenesisL1…

PDB
1M5Q
Type
protein
Length
3,566 residues
Chains
28
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Small nuclear ribonucleoprotein homolog
UniProt
Q8ZVU2
Ligands
CD, NA
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 26% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASmall nuclear ribonucleoprotein homologprotein12626% helix, 40% strandQ8ZVU2
B, C, D, E, F, G, L, O, P, Q, R, S, T, U, 1, 2Small nuclear ribonucleoprotein homologprotein12726% helix, 40% strandQ8ZVU2
H, I, J, K, M, N, V, W, X, Y, ZSmall nuclear ribonucleoprotein homologprotein12827% helix, 39% strandQ8ZVU2

Ligands and binding sites

  • CD · Cadmium ion · metal · 28 copies · chains A, B, G, C, D, E, F, H, I, N, J, K, L, M, O, U, P, Q, R, S, T, V, W, X, Y, Z, 1, 2
  • NA · Sodium ion · metal · 5 copies · chains A, G, B, C, Q, R, S, V, W
  • ACY · Acetic acid · additive · 15 copies · chains F, G, A, H, I, E, K, C, M, B, N, Q, V, P, W, O, X, U, Y, T, Z, S, 1, R, 2
  • GOL · Glycerol · additive · 12 copies · chains A, B, G, H, I, J, K, M, N, R, 1, 2, P, V, W, X, O

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110500.810.8390CD, GOL
29240.800.8276CD
38010.790.8373CD
48790.790.8271CD
56340.790.8567GOL, CD

Interfaces

75 interfaces between chains.

  • P–V · 1124 Ų buried · 14 hydrogen bonds · protein-protein
  • B–M · 1107 Ų buried · 14 hydrogen bonds · protein-protein
  • D–K · 1098 Ų buried · 17 hydrogen bonds · protein-protein
  • U–X · 1092 Ų buried · 21 hydrogen bonds · protein-protein
  • E–J · 1089 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 84 modified (engineered).

Compared structures

  • 1M5Q · Crystal structure of a novel Sm-like archaeal protein from Pyrobaculum aerophilum · the same entry in another collection · chain B against B, TM-score 1.00

Analyse

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