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MolNFT v1 · #120973 · protein

Structure of pvdo from pseudomonas aeruginosa

5HHA: “Structure of pvdo from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.60). MolNFT v1 #120973 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5HHA
Type
protein
Length
533 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pvdo
UniProt
Q9I185
Ligands
CA
Pockets
3 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 16% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APvdoprotein26117% helix, 18% strandQ9I185
BPvdoprotein27215% helix, 18% strandQ9I185

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

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15350.600.7443empty
21190.600.8625empty
31240.580.8424empty

Interfaces

1 interface between chains.

  • A–B · 658 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 5HHA · Structure of PvdO from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00

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