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MolNFT v1 · #51681 · protein

Structural model for the complex between the dr adhesins and carcinoembryonic antigen (cea)

2VER · Afimbrial adhesin afa-III: “Structural model for the complex between the dr adhesins and carcinoembryonic antigen (cea)”. Solution nmr, 1 ligand (MTN). MolNFT v1 #51681 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2VER
Type
protein
Length
253 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Afimbrial adhesin afa-III; Arcinoembryonic antigen-related cell adhesion molecule 5
UniProt
Q57254, P06731
Ligands
MTN

Structure

solution nmr · 2 distinct chains · 2% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAfimbrial adhesin afa-IIIprotein1430% helix, 49% strandQ57254
NArcinoembryonic antigen-related cell adhesion molecule 5protein1105% helix, 50% strandP06731

Ligands and binding sites

  • MTN · S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate · ligand · 3 copies · chains A, N

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

Interfaces

1 interface between chains.

  • A–N · 721 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

  • 2VER · Structural model for the complex between the Dr adhesins and carcinoembryonic antigen… · the same entry in another collection · chain A against A, TM-score 1.00
  • P06731 · AlphaFold monomer V2.0 prediction for carcinoembryonic antigen- related cell adhesion… · a predicted model of the same protein · chain N against A, TM-score 0.96
  • Q57254 · AlphaFold monomer V2.0 prediction for afimbrial adhesin afa-III (Q57254) · a predicted model of the same protein · chain A against A, TM-score 0.66

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