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Crystal structure of the molybdate transporter periplasmic protein moda from yersinia pestis

Analyse Crystal structure of the molybdate transporter periplasmic protein moda from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6NIO
Type
protein
Length
231 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Molybdate ABC transporter substrate-binding protein
UniProt
A0A2S9PEQ7
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMolybdate ABC transporter substrate-binding proteinprotein23143% helix, 26% strandA0A2S9PEQ7

Ligands and binding sites

  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A
  • ACY · Acetic acid · additive · chains A
  • FMT · Formic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12010.520.7727FMT

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 6NIO · Crystal Structure of the Molybdate Transporter Periplasmic Protein ModA from Yersinia… · the same entry in another collection · chain A against A, TM-score 1.00

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