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Heptameric crystal structure of MTH649, an sm-like archaeal protein from methanobacterium thermautotrophicum

Analyse Heptameric crystal structure of MTH649, an sm-like archaeal protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1JBM
Type
protein
Length
521 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative snrnp sm-like protein
UniProt
O26745
Pockets
8 · best druggability 0.45

Structure

x-ray diffraction · 7 distinct chains · 13% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative snrnp sm-like proteinprotein789% helix, 55% strandO26745
BPutative snrnp sm-like proteinprotein7314% helix, 55% strandO26745
CPutative snrnp sm-like proteinprotein7713% helix, 55% strandO26745
DPutative snrnp sm-like proteinprotein7115% helix, 58% strandO26745
EPutative snrnp sm-like proteinprotein7513% helix, 55% strandO26745
FPutative snrnp sm-like proteinprotein7315% helix, 59% strandO26745
GPutative snrnp sm-like proteinprotein7412% helix, 55% strandO26745

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 11 copies · chains C, B, D, E, F, G
  • ACY · Acetic acid · additive · 5 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

8 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11990.450.7442EDO
2690.440.8216EDO
3560.430.8214ACY, EDO
4800.410.7917empty
5540.360.7914ACY, EDO

Interfaces

7 interfaces between chains.

  • E–F · 935 Ų buried · 22 hydrogen bonds · protein-protein
  • A–G · 893 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 892 Ų buried · 18 hydrogen bonds · protein-protein
  • B–C · 879 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 823 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 1JBM · Heptameric crystal structure of Mth649, an Sm-like archaeal protein from Methanobacterium… · the same entry in another collection · chain G against G, TM-score 1.00
  • O26745 · AlphaFold monomer V2.0 prediction for putative snrnp sm-like protein (O26745) · a predicted model of the same protein · chain E against A, TM-score 0.95

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