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MolNFT v1 · #60096 · protein

Solution structure of human secretory IGA1

3CHN · Immunoglobulin kappa light chain: “Solution structure of human secretory IGA1”. Solution scattering, 11 pockets (best druggability 0.60). MolNFT v1 #60096 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3CHN
Type
protein
Length
3,447 residues
Chains
10
Method
solution scattering
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Immunoglobulin kappa light chain; Ig alpha-1 chain C region; Secretory component
UniProt
P01876, P01833
Pockets
11 · best druggability 0.60

Structure

solution scattering · 4 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
L, M, N, OImmunoglobulin kappa light chainprotein2140% helix, 0% strand—
A, B, D, CIg alpha-1 chain C regionprotein4750% helix, 0% strandP01876
JSecretory componentprotein1060% helix, 0% strandP01833
SSecretory componentprotein5850% helix, 0% strandP01833

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14540.600.7393empty
23270.590.7579empty
31720.460.7342empty
41640.450.7337empty
51130.390.7329empty

Interfaces

13 interfaces between chains.

  • B–S · 976 Ų buried · 0 hydrogen bonds · protein-protein
  • D–S · 970 Ų buried · 0 hydrogen bonds · protein-protein
  • J–S · 762 Ų buried · 0 hydrogen bonds · protein-protein
  • A–C · 221 Ų buried · 0 hydrogen bonds · protein-protein
  • D–C · 204 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3CHN · Solution structure of human secretory IgA1 · the same entry in another collection · chain S against S, TM-score 1.00
  • P01833 · AlphaFold monomer V2.0 prediction for polymeric immunoglobulin receptor (P01833) · a predicted model of the same protein · chain J against A, TM-score 0.95
  • P01876 · AlphaFold monomer V2.0 prediction for immunoglobulin heavy constant alpha 1 (P01876) · a predicted model of the same protein · chain A against A, TM-score 0.37

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