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MolNFT v1 · #106630 · protein

Structure of the SNX17 ferm domain bound to the second npxf motif of KRIT1

4TKN · Sorting nexin-17: “Structure of the SNX17 ferm domain bound to the second npxf motif of KRIT1”. X-ray diffraction, 16 pockets (best druggability 0.70). MolNFT v1 #106630 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4TKN
Type
protein
Length
788 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sorting nexin-17; Krev interaction trapped protein 1
UniProt
Q15036, O00522
Pockets
16 · best druggability 0.70

Structure

x-ray diffraction · 5 distinct chains · 34% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASorting nexin-17protein25635% helix, 34% strandQ15036
BSorting nexin-17protein24736% helix, 33% strandQ15036
CSorting nexin-17protein25735% helix, 34% strandQ15036
DKrev interaction trapped protein 1protein100% helix, 20% strandO00522
E, FKrev interaction trapped protein 1protein90% helix, 22% strandO00522

Pockets

16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1570.700.9720empty
2500.650.9517empty
34650.640.7746empty
41070.550.8420empty
51850.530.7938empty

Interfaces

8 interfaces between chains.

  • B–C · 1152 Ų buried · 15 hydrogen bonds · protein-protein
  • A–D · 557 Ų buried · 4 hydrogen bonds · protein-protein
  • C–F · 556 Ų buried · 6 hydrogen bonds · protein-protein
  • B–E · 521 Ų buried · 6 hydrogen bonds · protein-protein
  • A–E · 174 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4TKN · Structure of the SNX17 FERM domain bound to the second NPxF motif of KRIT1 · the same entry in another collection · chain F against F, TM-score 1.00
  • Q15036 · AlphaFold monomer V2.0 prediction for sorting nexin-17 (Q15036) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • O00522 · AlphaFold monomer V2.0 prediction for krev interaction trapped protein 1 (O00522) · a predicted model of the same protein · chain E against A, TM-score 0.43

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