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MolNFT v1 · #47560 · protein

Structure of the PHE2 and PHE3 fragments of the integrin BETA2 subunit

2P28 · Integrin beta-2: “Structure of the PHE2 and PHE3 fragments of the integrin BETA2 subunit”. X-ray diffraction, 1 ligand (NAG), 1 pocket (best druggability 0.33). MolNFT v1 #47560 on GenesisL1: 3D structure, binding sites and pockets…

PDB
2P28
Type
protein
Length
310 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Integrin beta-2
UniProt
P05107
Ligands
NAG
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIntegrin beta-2protein9623% helix, 29% strandP05107
BIntegrin beta-2protein2145% helix, 42% strandP05107

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.330.7713empty

Interfaces

1 interface between chains.

  • A–B · 2209 Ų buried · 37 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 2P28 · Structure of the PHE2 and PHE3 fragments of the integrin beta2 subunit · the same entry in another collection · chain A against A, TM-score 1.00
  • P05107 · AlphaFold monomer V2.0 prediction for integrin beta-2 (P05107) · a predicted model of the same protein · chain A against A, TM-score 0.91

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