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Crystal structure of project MJ0051 from methanocaldococcus jannaschii dsm 2661

Analyse Crystal structure of project MJ0051 from methanocaldococcus jannaschii dsm 2661 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2ZV3
Type
protein
Length
1,005 residues
Chains
9
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptidyl-tRNA hydrolase
EC
3.1.1.29
UniProt
Q60363
Pockets
9 · best druggability 0.79

Structure

x-ray diffraction · 6 distinct chains · 45% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptidyl-tRNA hydrolase (EC 3.1.1.29)protein10849% helix, 28% strandQ60363
B, D, E, FPeptidyl-tRNA hydrolase (EC 3.1.1.29)protein11544% helix, 26% strandQ60363
CPeptidyl-tRNA hydrolase (EC 3.1.1.29)protein11147% helix, 27% strandQ60363
GPeptidyl-tRNA hydrolase (EC 3.1.1.29)protein11045% helix, 26% strandQ60363
HPeptidyl-tRNA hydrolase (EC 3.1.1.29)protein10337% helix, 25% strandQ60363
IPeptidyl-tRNA hydrolase (EC 3.1.1.29)protein11346% helix, 27% strandQ60363

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18180.790.8285empty
27080.750.8159empty
31970.520.7725empty
4740.460.8316empty
5610.420.8213empty

Interfaces

18 interfaces between chains.

  • C–D · 995 Ų buried · 6 hydrogen bonds · protein-protein
  • E–F · 991 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 981 Ų buried · 4 hydrogen bonds · protein-protein
  • G–H · 958 Ų buried · 4 hydrogen bonds · protein-protein
  • B–F · 858 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 2ZV3 · Crystal structure of project MJ0051 from Methanocaldococcus jannaschii DSM 2661 · the same entry in another collection · chain I against I, TM-score 1.00
  • Q60363 · AlphaFold monomer V2.0 prediction for peptidyl-tRNA hydrolase (Q60363) · a predicted model of the same protein · chain A against A, TM-score 0.98

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