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MolNFT v1 · #163745 · protein

Structure of the dynein-2 complex; ift-train bound model

6SC2 · O6-alkylguanine-DNA alkyltransferase MUTANT,DYNC2H1 variant…: “Structure of the dynein-2 complex; ift-train bound model”. Electron microscopy, 3 ligands (ADP, ATP, MG), 20 pockets (best druggability 0.81). MolNFT v1 #163745 on…

PDB
6SC2
Type
protein
Length
10,108 residues
Chains
14
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
O6-alkylguanine-DNA alkyltransferase MUTANT,DYNC2H1 variant PROTEIN,O6-alkylguanine-DNA…
UniProt
E5BBQ0, B0I1S0, Q8WVS4, Q96EX3, Q8TCX1, Q9NP97, P63167
Ligands
ADP, ATP, MG
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 8 distinct chains · 51% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AO6-alkylguanine-DNA alkyltransferase MUTANT,DYNC2H1 variant PROTEIN,O6-alkylguanine-DNA alkyltransferase MUTANT,CYTOPLASMIC dynein 2 heavy chain 1,DYNC2H1 variant PROTEIN,DYNC2H1 variant PROTEIN,DYNC2H1 variant proteinprotein391457% helix, 8% strandE5BBQ0, B0I1S0
BO6-alkylguanine-DNA alkyltransferase MUTANT,DYNC2H1 variant PROTEIN,O6-alkylguanine-DNA alkyltransferase MUTANT,CYTOPLASMIC dynein 2 heavy chain 1,DYNC2H1 variant PROTEIN,DYNC2H1 variant PROTEIN,DYNC2H1 variant proteinprotein393057% helix, 8% strandE5BBQ0, B0I1S0
CWd repeat-containing protein 60protein4949% helix, 33% strandQ8WVS4
DWd repeat-containing protein 34protein44610% helix, 33% strandQ96EX3
ECytoplasmic dynein 2 light intermediate chain 1protein31242% helix, 13% strandQ8TCX1
FCytoplasmic dynein 2 light intermediate chain 1protein31043% helix, 13% strandQ8TCX1
G, HDynein light chain roadblock-type 1protein9337% helix, 30% strandQ9NP97
I, J, K, L, M, NDynein light chain 1, cytoplasmicprotein8638% helix, 44% strandP63167

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 6 copies · chains A, B
  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110730.810.83163empty
29850.810.83117empty
37890.810.84112empty
49720.800.82141empty
57530.800.8498empty

Interfaces

29 interfaces between chains.

  • A–B · 1441 Ų buried · 2 hydrogen bonds · protein-protein
  • I–J · 613 Ų buried · 17 hydrogen bonds · protein-protein
  • K–L · 579 Ų buried · 16 hydrogen bonds · protein-protein
  • M–N · 574 Ų buried · 16 hydrogen bonds · protein-protein
  • B–F · 525 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6SC2 · Structure of the dynein-2 complex; IFT-train bound model · the same entry in another collection · chain N against N, TM-score 1.00

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