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MolNFT v1 · #32394 · protein

Crystal structure of filamin a domain 17 and gpib alpha cytoplasmic domain complex

2BP3: “Crystal structure of filamin a domain 17 and gpib alpha cytoplasmic domain complex”. X-ray diffraction, 2 pockets (best druggability 0.33). MolNFT v1 #32394 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2BP3
Type
protein
Length
209 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Filamin a; Platelet glycoprotein ib alpha chain
UniProt
P21333, P07359
Pockets
2 · best druggability 0.33

Structure

x-ray diffraction · 4 distinct chains · 3% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFilamin aprotein913% helix, 56% strandP21333
BFilamin aprotein903% helix, 57% strandP21333
SPlatelet glycoprotein ib alpha chainprotein110% helix, 82% strandP07359
TPlatelet glycoprotein ib alpha chainprotein170% helix, 53% strandP07359

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains A, T, 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1780.330.7416empty
2560.330.7713empty

Interfaces

4 interfaces between chains.

  • A–T · 772 Ų buried · 18 hydrogen bonds · protein-protein
  • B–S · 705 Ų buried · 16 hydrogen bonds · protein-protein
  • B–T · 525 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 108 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 2BP3 · Crystal structure of Filamin A domain 17 and GPIb alpha cytoplasmic domain complex · the same entry in another collection · chain T against T, TM-score 1.00
  • P21333 · AlphaFold monomer V2.0 prediction for filamin-a (P21333) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • P07359 · AlphaFold monomer V2.0 prediction for platelet glycoprotein ib alpha chain (P07359) · a predicted model of the same protein · chain S against A, TM-score 0.54

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