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MolNFT v1 · #140419 · protein

Crystal structure of archaeal flagellin FLAB1 from methanocaldococcus jannaschii

5YA6 · Flagellin B1: “Crystal structure of archaeal flagellin FLAB1 from methanocaldococcus jannaschii”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.37). MolNFT v1 #140419 on GenesisL1: 3D structure, binding sites and…

PDB
5YA6
Type
protein
Length
328 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Flagellin B1
UniProt
Q58301
Ligands
CA
Pockets
1 · best druggability 0.37

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFlagellin B1protein1639% helix, 49% strandQ58301
BFlagellin B1protein16510% helix, 48% strandQ58301

Ligands and binding sites

  • 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
11220.370.7319empty

Interfaces

1 interface between chains.

  • A–B · 681 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5YA6 · Crystal structure of archaeal flagellin FlaB1 from Methanocaldococcus jannaschii · the same entry in another collection · chain A against A, TM-score 1.00
  • Q58301 · AlphaFold monomer V2.0 prediction for flagellin B1 (Q58301) · a predicted model of the same protein · chain A against A, TM-score 0.97

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