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MolNFT v1 · #164868 · protein

Crystal structure of MMS19-CIAO1-CIAO2B cia targeting complex

6TC0 · Probable cytosolic iron-sulfur protein assembly protein…: “Crystal structure of MMS19-CIAO1-CIAO2B cia targeting complex”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #164868 on GenesisL1: 3D structure, binding…

PDB
6TC0
Type
protein
Length
2,963 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable cytosolic iron-sulfur protein assembly protein CIAO1; MIP18 family protein…
UniProt
Q7K1Y4, Q9VTC4, Q9D071
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 62% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DProbable cytosolic iron-sulfur protein assembly protein CIAO1protein3360% helix, 52% strandQ7K1Y4
B, EMIP18 family protein galla-2protein15441% helix, 12% strandQ9VTC4
CMMS19 nucleotide excision repair protein homologprotein99474% helix, 0% strandQ9D071
FMMS19 nucleotide excision repair protein homologprotein98974% helix, 0% strandQ9D071

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17620.810.84102empty
24730.790.8737empty
38430.790.8260empty
44790.780.8637empty
510190.780.8071empty

Interfaces

12 interfaces between chains.

  • C–F · 3214 Ų buried · 34 hydrogen bonds · protein-protein
  • B–E · 1674 Ų buried · 13 hydrogen bonds · protein-protein
  • E–F · 908 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 893 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 889 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 6TC0 · Crystal structure of MMS19-CIAO1-CIAO2B CIA targeting complex · the same entry in another collection · chain F against F, TM-score 1.00
  • Q7K1Y4 · AlphaFold monomer V2.0 prediction for probable cytosolic iron-sulfur protein assembly… · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q9VTC4 · AlphaFold monomer V2.0 prediction for MIP18 family protein galla-2 (Q9VTC4) · a predicted model of the same protein · chain B against A, TM-score 0.89
  • Q9D071 · AlphaFold monomer V2.0 prediction for MMS19 nucleotide excision repair protein homolog… · a predicted model of the same protein · chain C against A, TM-score 0.72

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