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MolNFT v1 · #99839 · protein

Crystal structure of M121G azurin

4MFH: “Crystal structure of M121G azurin”. X-ray diffraction, 1 ligand (CU), 4 pockets (best druggability 0.63). MolNFT v1 #99839 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4MFH
Type
protein
Length
384 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Azurin
UniProt
P00282
Ligands
CU
Pockets
4 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CAzurinprotein12819% helix, 32% strandP00282

Ligands and binding sites

  • CU · Copper (II) ion · metal · 6 copies · chains A, B, C
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11130.630.8817CU, TRS
21470.630.8629CU, TRS
3610.300.7518empty
4580.290.7517empty

Interfaces

2 interfaces between chains.

  • A–C · 402 Ų buried · 3 hydrogen bonds · protein-protein
  • A–B · 401 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 4MFH · Crystal Structure of M121G Azurin · the same entry in another collection · chain C against C, TM-score 1.00
  • P00282 · AlphaFold monomer V2.0 prediction for azurin (P00282) · a predicted model of the same protein · chain A against A, TM-score 0.99

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