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MolNFT v1 · #116746 · protein

Human NRP2 B1 domain in complex with the peptide corresponding to the C-terminus of VEGF-a

5DN2 · Neuropilin-2: “Human NRP2 B1 domain in complex with the peptide corresponding to the C-terminus of VEGF-a”. X-ray diffraction, 3 pockets (best druggability 0.66). MolNFT v1 #116746 on GenesisL1: 3D structure, binding sites and…

PDB
5DN2
Type
protein
Length
640 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neuropilin-2; Vascular endothelial growth factor a
UniProt
O60462, P15692
Pockets
3 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 4% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DNeuropilin-2protein1564% helix, 49% strandO60462
F, GVascular endothelial growth factor aprotein40% helix, 0% strandP15692
EVascular endothelial growth factor aprotein80% helix, 0% strandP15692

Ligands and binding sites

  • DIO · 1,4-diethylene dioxide · additive · 2 copies · chains B, D
  • GOL · Glycerol · additive · chains B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16260.660.7662empty
21830.580.8223empty
32830.560.7740empty

Interfaces

9 interfaces between chains.

  • A–B · 456 Ų buried · 13 hydrogen bonds · protein-protein
  • C–E · 367 Ų buried · 9 hydrogen bonds · protein-protein
  • A–G · 353 Ų buried · 6 hydrogen bonds · protein-protein
  • D–F · 344 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 262 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5DN2 · Human NRP2 b1 domain in complex with the peptide corresponding to the C-terminus of VEGF-A · the same entry in another collection · chain E against E, TM-score 1.00
  • O60462 · AlphaFold monomer V2.0 prediction for neuropilin-2 (O60462) · a predicted model of the same protein · chain A against A, TM-score 0.99

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