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MolNFT v1 · #146946 · protein

Structure of the monoclinic-2 (monocl-2) crystal form of human apolipoprotein C1

6DXR · Apolipoprotein C-I: “Structure of the monoclinic-2 (monocl-2) crystal form of human apolipoprotein C1”. X-ray diffraction, 1 pocket (best druggability 0.38). MolNFT v1 #146946 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6DXR
Type
protein
Length
107 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Apolipoprotein C-I
UniProt
P02654
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 92% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AApolipoprotein C-Iprotein5192% helix, 0% strandP02654
BApolipoprotein C-Iprotein5691% helix, 0% strandP02654

Ligands and binding sites

  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.380.7418MPD

Interfaces

1 interface between chains.

  • A–B · 753 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6DXR · Structure of the Monoclinic-2 (Monocl-2) Crystal Form of Human Apolipoprotein C1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P02654 · AlphaFold monomer V2.0 prediction for apolipoprotein C-I (P02654) · a predicted model of the same protein · chain A against A, TM-score 0.52

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