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MolNFT v1 · #146543 · protein

DHD131

6DKM · DHD131_A: “DHD131”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #146543 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6DKM
Type
protein
Length
584 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DHD131_A; DHD131_B
Pockets
6 · best druggability 0.76

Structure

x-ray diffraction · 8 distinct chains · 89% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADHD131_Aprotein7779% helix, 0% strand—
BDHD131_Bprotein7493% helix, 0% strand—
CDHD131_Aprotein7686% helix, 0% strand—
DDHD131_Bprotein7990% helix, 0% strand—
EDHD131_Aprotein6386% helix, 0% strand—
FDHD131_Bprotein6794% helix, 0% strand—
GDHD131_Aprotein7688% helix, 0% strand—
HDHD131_Bprotein7294% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19580.760.7972empty
26360.690.7851empty
31180.470.7917empty
41340.440.7626empty
5660.320.7415empty

Interfaces

16 interfaces between chains.

  • C–D · 1628 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 1571 Ų buried · 11 hydrogen bonds · protein-protein
  • G–H · 1509 Ų buried · 14 hydrogen bonds · protein-protein
  • E–F · 1268 Ų buried · 11 hydrogen bonds · protein-protein
  • B–D · 365 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6DKM · DHD131 · the same entry in another collection · chain A against A, TM-score 1.00

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