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The crystal structure of the outer-membrane transporter yncd

Analyse The crystal structure of the outer-membrane transporter yncd in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6V81
Type
protein
Length
652 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable tonb-dependent receptor yncd
UniProt
P76115
Ligands
CA
Pockets
5 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable tonb-dependent receptor yncdprotein6525% helix, 57% strandP76115

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • BOG · octyl beta-D-glucopyranoside · additive · chains A

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

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13740.850.9451empty
210900.810.8285empty
35160.750.8455empty
47560.730.7876empty
52670.590.7931empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6V81 · The crystal structure of the outer-membrane transporter YncD · the same entry in another collection · chain A against A, TM-score 1.00
  • P76115 · AlphaFold monomer V2.0 prediction for probable tonb-dependent receptor yncd (P76115) · a predicted model of the same protein · chain A against A, TM-score 0.98

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