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MolNFT v1 · #31937 · protein

Structure of cobalamin-complexed bovine transcobalamin in trigonal crystal form

2BBC · Transcobalamin II: “Structure of cobalamin-complexed bovine transcobalamin in trigonal crystal form”. X-ray diffraction, 2 ligands (B12, CL), 4 pockets (best druggability 0.79). MolNFT v1 #31937 on GenesisL1: 3D structure, binding…

PDB
2BBC
Type
protein
Length
414 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcobalamin II
UniProt
Q9XSC9
Ligands
B12, CL
Pockets
4 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscobalamin IIprotein41446% helix, 12% strandQ9XSC9

Ligands and binding sites

  • B12 · Cobalamin · ligand · chains A
  • CL · Chloride ion · ion · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111430.790.8178CL, B12
2960.500.8223empty
3980.390.7624empty
4840.310.7318empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 2BBC · Structure of Cobalamin-complexed Bovine Transcobalamin in trigonal crystal form · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9XSC9 · AlphaFold monomer V2.0 prediction for transcobalamin-2 (Q9XSC9) · a predicted model of the same protein · chain A against A, TM-score 0.97

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