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MolNFT v1 · #165610 · protein

Protofilament ribbon flagellar proteins RIB43A-S

6U0T · Tubulin alpha chain: “Protofilament ribbon flagellar proteins RIB43A-S”. Electron microscopy, 3 ligands (GTP, GDP, MG), 20 pockets (best druggability 0.85). MolNFT v1 #165610 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6U0T
Type
protein
Length
5,230 residues
Chains
13
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tubulin alpha chain; Tubulin beta chain; RIB43A protein
UniProt
P41351, P41352, A4VDZ5
Ligands
GTP, GDP, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 3 distinct chains · 48% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, D, E, F, G, HTubulin alpha chainprotein42942% helix, 16% strandP41351
B, I, J, K, L, MTubulin beta chainprotein42045% helix, 18% strandP41352
ARIB43A proteinprotein13676% helix, 1% strandA4VDZ5

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 6 copies · chains C, B, D, I, E, J, F, K, G, L, H, M
  • GDP · Guanosine-5'-diphosphate · ligand · 6 copies · chains B, C, I, J, K, F, L, G, M, A
  • MG · Magnesium ion · metal · 6 copies · chains C, B, D, E, F, G, H, M

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
13720.850.9458GDP
22660.840.9547GTP, MG
32550.830.9547GTP, MG
42310.830.9546GTP, MG
52490.820.9546GTP, MG

Interfaces

25 interfaces between chains.

  • C–B · 1999 Ų buried · 12 hydrogen bonds · protein-protein
  • C–I · 1961 Ų buried · 23 hydrogen bonds · protein-protein
  • E–J · 1955 Ų buried · 16 hydrogen bonds · protein-protein
  • D–I · 1915 Ų buried · 21 hydrogen bonds · protein-protein
  • G–L · 1909 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6U0T · Protofilament Ribbon Flagellar Proteins Rib43a-S · the same entry in another collection · chain A against A, TM-score 1.00

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