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MolNFT v1 · #49510 · protein

Crystal structure of the B1B2 domains from human neuropilin-1

2QQI: “Crystal structure of the B1B2 domains from human neuropilin-1”. X-ray diffraction, 5 pockets (best druggability 0.62). MolNFT v1 #49510 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2QQI
Type
protein
Length
315 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neuropilin-1
UniProt
O14786
Pockets
5 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeuropilin-1protein3156% helix, 44% strandO14786

Ligands and binding sites

  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11220.620.8628empty
22460.530.7632empty
3750.340.7622empty
4630.330.7613empty
5510.300.7613empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 2QQI · Crystal Structure of the b1b2 Domains from Human Neuropilin-1 · the same entry in another collection · chain A against A, TM-score 1.00
  • O14786 · AlphaFold monomer V2.0 prediction for neuropilin-1 (O14786) · a predicted model of the same protein · chain A against A, TM-score 0.94

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