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Solution NMR structure of the non-productive complex between iiamannose and iibmannose of the mannose transporter of the E. COLI phosphotransferase system

Analyse Solution NMR structure of the non-productive complex between iiamannose and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2JZO
Type
protein
Length
423 residues
Chains
3
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pts system mannose-specific eiiab component
EC
2.7.1.69, 2.7.1.-
UniProt
P69797
Pockets
2 · best druggability 0.64

Structure

solution nmr · 2 distinct chains · 40% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPts system mannose-specific eiiab component (EC 2.7.1.69)protein12947% helix, 18% strandP69797
DPts system mannose-specific eiiab component (EC 2.7.1.-)protein16536% helix, 24% strandP69797

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14960.640.7651empty
2580.290.7417empty

Interfaces

3 interfaces between chains.

  • A–B · 1539 Ų buried · 20 hydrogen bonds · protein-protein
  • B–D · 261 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 180 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 2JZO · Solution NMR structure of the non-productive complex between IIAMannose and IIBMannose of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P69797 · AlphaFold monomer V2.0 prediction for pts system mannose-specific eiiab component (P69797) · a predicted model of the same protein · chain A against A, TM-score 0.99

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