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MolNFT v1 · #25827 · protein

3D structure of cota incubated with sodium azide

1W6W · Spore coat protein a: “3D structure of cota incubated with sodium azide”. X-ray diffraction, 2 ligands (CU, AZI), 7 pockets (best druggability 0.55). MolNFT v1 #25827 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1W6W
Type
protein
Length
502 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spore coat protein a
UniProt
P07788
Ligands
CU, AZI
Pockets
7 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpore coat protein aprotein5029% helix, 41% strandP07788

Ligands and binding sites

  • CU · Copper (II) ion · metal · 4 copies · chains A
  • AZI · Azide ion · ion · chains A
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11960.550.7947empty
21530.550.8131empty
3580.440.8316empty
4990.340.7321empty
5520.310.7716empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1W6W · 3D structure of CotA incubated with sodium azide · the same entry in another collection · chain A against A, TM-score 1.00
  • P07788 · AlphaFold monomer V2.0 prediction for spore coat protein a (P07788) · a predicted model of the same protein · chain A against A, TM-score 1.00

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