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MolNFT v1 · #157767 · protein

Crystal structure of human gsdmd

6N9O · Gasdermin-D: “Crystal structure of human gsdmd”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #157767 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6N9O
Type
protein
Length
1,496 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gasdermin-D
UniProt
P57764
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 4 distinct chains · 40% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGasdermin-Dprotein37141% helix, 11% strandP57764
BGasdermin-Dprotein36941% helix, 10% strandP57764
CGasdermin-Dprotein37940% helix, 15% strandP57764
DGasdermin-Dprotein37739% helix, 13% strandP57764

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17140.840.8880empty
25820.830.8982empty
35780.820.8870empty
44150.770.8653empty
52490.750.8844empty

Interfaces

3 interfaces between chains.

  • C–D · 1024 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 957 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 747 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6N9O · Crystal structure of human GSDMD · the same entry in another collection · chain D against D, TM-score 1.00
  • P57764 · AlphaFold monomer V2.0 prediction for gasdermin-D (P57764) · a predicted model of the same protein · chain C against A, TM-score 0.95

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