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MolNFT v1 · #113038 · protein

Crystal structure of the dynamin tetramer

5A3F · Dynamin 3: “Crystal structure of the dynamin tetramer”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #113038 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5A3F
Type
protein
Length
2,500 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dynamin 3
EC
3.6.5.5
UniProt
Q9UQ16
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 54% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADynamin 3 (EC 3.6.5.5)protein69150% helix, 14% strandQ9UQ16
BDynamin 3 (EC 3.6.5.5)protein55561% helix, 8% strandQ9UQ16
CDynamin 3 (EC 3.6.5.5)protein70049% helix, 14% strandQ9UQ16
DDynamin 3 (EC 3.6.5.5)protein55461% helix, 8% strandQ9UQ16

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110460.830.84130empty
211790.810.83138empty
310130.810.8380empty
45120.750.8376empty
54990.740.8264empty

Interfaces

6 interfaces between chains.

  • C–D · 1450 Ų buried · 24 hydrogen bonds · protein-protein
  • A–B · 1436 Ų buried · 22 hydrogen bonds · protein-protein
  • A–D · 1173 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 1144 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 1058 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5A3F · Crystal structure of the dynamin tetramer · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9UQ16 · AlphaFold monomer V2.0 prediction for dynamin-3 (Q9UQ16) · a predicted model of the same protein · chain D against A, TM-score 0.84

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