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MolNFT v1 · #36823 · protein

Avidin related protein (AVR4)-bna complex

2FHL · Avidin-related protein 4/5: “Avidin related protein (AVR4)-bna complex”. X-ray diffraction, 1 ligand (BNI), 2 pockets (best druggability 0.53). MolNFT v1 #36823 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2FHL
Type
protein
Length
240 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Avidin-related protein 4/5
UniProt
P56734
Ligands
BNI
Pockets
2 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAvidin-related protein 4/5protein1208% helix, 50% strandP56734

Ligands and binding sites

  • BNI · 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4-nitro-phenyl)-amide · ligand · 2 copies · chains A, B
  • FMT · Formic acid · additive · 10 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11450.530.8024BNI, FMT
21450.530.8021BNI

Interfaces

1 interface between chains.

  • A–B · 1688 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 2FHL · avidin related protein (AVR4)-BNA complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P56734 · AlphaFold monomer V2.0 prediction for avidin-related protein 4/5 (P56734) · a predicted model of the same protein · chain B against A, TM-score 0.99

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