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MolNFT v1 · #64119 · protein

Crystal structure of the major pseudopilin from the type 2 secretion system of vibrio cholerae

3FU1 · General secretion pathway protein G: “Crystal structure of the major pseudopilin from the type 2 secretion system of vibrio cholerae”. X-ray diffraction, 2 ligands (ZN, CA), 1 pocket (best druggability 0.39). MolNFT v1 #64119 on…

PDB
3FU1
Type
protein
Length
227 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
General secretion pathway protein G
UniProt
P45773
Ligands
ZN, CA
Pockets
1 · best druggability 0.39

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGeneral secretion pathway protein Gprotein11537% helix, 10% strandP45773
BGeneral secretion pathway protein Gprotein11237% helix, 10% strandP45773

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11490.390.7326empty

Interfaces

1 interface between chains.

  • A–B · 882 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 3FU1 · Crystal structure of the major pseudopilin from the type 2 secretion system of Vibrio… · the same entry in another collection · chain A against A, TM-score 1.00
  • P45773 · AlphaFold monomer V2.0 prediction for type II secretion system core protein G (P45773) · a predicted model of the same protein · chain B against A, TM-score 0.98

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