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Complex of mouse Plexin A2 - Semaphorin 3A - Neuropilin-1

Analyse Complex of mouse Plexin A2 - Semaphorin 3A - Neuropilin-1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GZA
Type
protein
Length
4,537 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
7
Source
Mus musculus
Molecule
Plexin-A2; Semaphorin-3A; Neuropilin-1
UniProt
P70207, O08665, P97333
Ligands
CA
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · resolution 7 · 3 distinct chains · 9% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FPlexin-A2protein65611% helix, 39% strandP70207
GSemaphorin-3Aprotein4848% helix, 39% strandO08665
HNeuropilin-1protein1173% helix, 42% strandP97333

Ligands and binding sites

  • CA · Calcium ion · metal · chains H

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

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111780.820.8396empty
29320.780.80100empty
39340.770.8095empty
49030.770.8093empty
511480.770.79125empty

Interfaces

15 interfaces between chains.

  • A–G · 1231 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 1228 Ų buried · 15 hydrogen bonds · protein-protein
  • E–F · 1116 Ų buried · 13 hydrogen bonds · protein-protein
  • C–D · 1093 Ų buried · 11 hydrogen bonds · protein-protein
  • A–H · 460 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 90 disulfide (disulfide).

Compared structures

  • 4GZA · Complex of mouse plexin A2 - semaphorin 3A - neuropilin-1 · the same entry in another collection · chain H against H, TM-score 1.00
  • O08665 · AlphaFold monomer V2.0 prediction for semaphorin-3A (O08665) · a predicted model of the same protein · chain G against A, TM-score 0.99
  • P97333 · AlphaFold monomer V2.0 prediction for neuropilin-1 (P97333) · a predicted model of the same protein · chain H against A, TM-score 0.99
  • P70207 · AlphaFold monomer V2.0 prediction for plexin-A2 (P70207) · a predicted model of the same protein · chain A against A, TM-score 0.95

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