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MolNFT v1 · #63559 · protein

Crystal structure of avidin

3FDC: “Crystal structure of avidin”. X-ray diffraction, 1 ligand (BTF), 4 pockets (best druggability 0.58). MolNFT v1 #63559 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3FDC
Type
protein
Length
238 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Avidin
UniProt
P02701
Ligands
BTF
Pockets
4 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAvidinprotein1193% helix, 47% strandP02701
BAvidinprotein1193% helix, 50% strandP02701

Ligands and binding sites

  • BTF · iron(II) tetracyano-5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide · ligand · 2 copies · chains A, B

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
11500.580.8325BTF
21450.550.8123BTF
3500.350.8016empty
4590.320.7614empty

Interfaces

1 interface between chains.

  • A–B · 1851 Ų buried · 31 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3FDC · Crystal Structure of Avidin · the same entry in another collection · chain A against A, TM-score 1.00
  • P02701 · AlphaFold monomer V2.0 prediction for avidin (P02701) · a predicted model of the same protein · chain B against A, TM-score 0.97

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