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MolNFT v1 · #113400 · protein

Crystal structure of human ncam domain 1

5AEA · Neural cell adhesion molecule 1: “Crystal structure of human ncam domain 1”. X-ray diffraction, 2 pockets (best druggability 0.47). MolNFT v1 #113400 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5AEA
Type
protein
Length
198 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neural cell adhesion molecule 1
UniProt
P13591
Pockets
2 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeural cell adhesion molecule 1protein1003% helix, 56% strandP13591
BNeural cell adhesion molecule 1protein983% helix, 51% strandP13591

Ligands and binding sites

  • FLC · Citrate anion · additive · chains B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.470.7820empty
21830.450.7425empty

Interfaces

1 interface between chains.

  • A–B · 469 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5AEA · Crystal structure of human NCAM domain 1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P13591 · AlphaFold monomer V2.0 prediction for neural cell adhesion molecule 1 (P13591) · a predicted model of the same protein · chain A against A, TM-score 0.95

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