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MolNFT v1 · #141865 · protein

Mutation in the trinuclear site of cota-laccase: H493C mutant, pH 8.0

5ZLL · Spore coat protein a: “Mutation in the trinuclear site of cota-laccase: H493C mutant, pH 8.0”. X-ray diffraction, 1 ligand (CU), 5 pockets (best druggability 0.55). MolNFT v1 #141865 on GenesisL1: 3D structure, binding sites and…

PDB
5ZLL
Type
protein
Length
503 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spore coat protein a
UniProt
P07788
Ligands
CU
Pockets
5 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpore coat protein aprotein5038% helix, 41% strandP07788

Ligands and binding sites

  • CU · Copper (II) ion · metal · 3 copies · chains A
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11780.550.8033empty
21760.530.7922empty
31220.440.7725empty
41110.360.7321empty
5500.240.7318EDO

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5ZLL · Mutation in the trinuclear site of CotA-laccase: H493C mutant, PH 8.0 · 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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