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MolNFT v1 · #148168 · protein

Crystal structure of the pyoverdine maturation protein pvdp in complex with the mock substrates L-tyrosine and zinc.

6EYV: “Crystal structure of the pyoverdine maturation protein pvdp in complex with the mock substrates L-tyrosine…”. X-ray diffraction, 2 ligands (TYR, ZN), 12 pockets (best druggability 0.88). MolNFT v1 #148168 on GenesisL1: 3D structure…

PDB
6EYV
Type
protein
Length
916 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pvdp
UniProt
A0A0H2ZBG1
Ligands
TYR, ZN
Pockets
12 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BPvdpprotein45738% helix, 16% strandA0A0H2ZBG1
APvdpprotein45938% helix, 16% strandA0A0H2ZBG1

Ligands and binding sites

  • TYR · Tyrosine · ligand · 2 copies · chains B, A
  • ZN · Zinc ion · metal · 4 copies · chains B, A

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

Pockets

12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17700.880.9191empty
21330.690.9029empty
33780.640.7837ZN, TYR
43190.600.7839ZN, TYR
51890.520.7831empty

Interfaces

1 interface between chains.

  • B–A · 2970 Ų buried · 44 hydrogen bonds · protein-protein

Compared structures

  • 6EYV · Crystal structure of the pyoverdine maturation protein PvdP in complex with the mock… · the same entry in another collection · chain B against B, TM-score 1.00

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