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MolNFT v1 · #150191 · protein

Crystal structure of the FIP200 C-terminal region

6GMA · RB1-inducible coiled-coil protein 1: “Crystal structure of the FIP200 C-terminal region”. X-ray diffraction, 6 pockets (best druggability 0.78). MolNFT v1 #150191 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6GMA
Type
protein
Length
758 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RB1-inducible coiled-coil protein 1
UniProt
Q8TDY2
Pockets
6 · best druggability 0.78

Structure

x-ray diffraction · 6 distinct chains · 27% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARB1-inducible coiled-coil protein 1protein12727% helix, 30% strandQ8TDY2
BRB1-inducible coiled-coil protein 1protein12727% helix, 28% strandQ8TDY2
CRB1-inducible coiled-coil protein 1protein13026% helix, 28% strandQ8TDY2
DRB1-inducible coiled-coil protein 1protein13128% helix, 28% strandQ8TDY2
ERB1-inducible coiled-coil protein 1protein12327% helix, 29% strandQ8TDY2
FRB1-inducible coiled-coil protein 1protein12027% helix, 29% strandQ8TDY2

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111500.780.80104empty
21920.470.7536empty
3920.460.8021empty
41690.440.7429empty
51390.440.7528empty

Interfaces

8 interfaces between chains.

  • C–D · 1730 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 1459 Ų buried · 6 hydrogen bonds · protein-protein
  • E–F · 1129 Ų buried · 8 hydrogen bonds · protein-protein
  • D–F · 736 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 457 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6GMA · Crystal structure of the FIP200 C-terminal region · the same entry in another collection · chain F against F, TM-score 1.00
  • Q8TDY2 · AlphaFold monomer V2.0 prediction for RB1-inducible coiled-coil protein 1 (Q8TDY2) · a predicted model of the same protein · chain F against A, TM-score 0.78

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