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MolNFT v1 · #187379 · protein

Murine FAB/IGE in complex with profilin from hevea brasieliensis (hev B 8)

7SBD · FAB/IGE heavy chain: “Murine FAB/IGE in complex with profilin from hevea brasieliensis (hev B 8)”. X-ray diffraction, 4 ligands (NAG, BMA, MAN), 6 pockets (best druggability 0.61). MolNFT v1 #187379 on GenesisL1: 3D structure…

PDB
7SBD
Type
protein
Length
558 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
FAB/IGE heavy chain; FAB/IGE light chain; Profilin-2
UniProt
Q9STB6
Ligands
NAG, BMA, MAN, FUC
Pockets
6 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 11% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HFAB/IGE heavy chainprotein2096% helix, 53% strand—
LFAB/IGE light chainprotein2147% helix, 49% strand—
CProfilin-2protein13527% helix, 30% strandQ9STB6

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains H
  • BMA · beta-D-mannopyranose · sugar
  • MAN · alpha-D-mannopyranose · sugar
  • FUC · alpha-L-fucopyranose · sugar · chains H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14570.610.7647empty
21180.430.7724empty
3580.380.8017empty
4980.340.7419empty
5700.320.7512empty

Interfaces

3 interfaces between chains.

  • H–L · 1574 Ų buried · 11 hydrogen bonds · protein-protein
  • L–C · 555 Ų buried · 12 hydrogen bonds · protein-protein
  • H–C · 411 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 7SBD · Murine Fab/IgE in complex with profilin from Hevea brasieliensis (Hev b 8) · the same entry in another collection · chain H against H, TM-score 1.00
  • Q9STB6 · AlphaFold monomer V2.0 prediction for profilin-2 (Q9STB6) · a predicted model of the same protein · chain C against A, TM-score 0.96

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