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MolNFT v1 · #165611 · protein

Protofilament ribbon flagellar proteins RIB43A-L

6U0U · Tubulin alpha chain: “Protofilament ribbon flagellar proteins RIB43A-L”. Electron microscopy, 3 ligands (GTP, GDP, MG), 20 pockets (best druggability 0.83). MolNFT v1 #165611 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6U0U
Type
protein
Length
5,207 residues
Chains
13
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tubulin alpha chain; Tubulin beta chain; Protofilament ribbon protein
UniProt
P41351, P41352, Q240R7
Ligands
GTP, GDP, MG
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 3 distinct chains · 49% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, D, E, F, G, HTubulin alpha chainprotein42943% helix, 17% strandP41351
B, I, J, K, L, MTubulin beta chainprotein42045% helix, 18% strandP41352
AProtofilament ribbon proteinprotein11385% helix, 0% strandQ240R7

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
  • MG · Magnesium ion · metal · 6 copies · chains C, B, D, E, J, F, G, H

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
12380.830.9545GTP, MG
22170.820.9547GTP, MG
32330.820.9544GTP, MG
42050.820.9642GTP, MG
57640.820.8590GDP

Interfaces

25 interfaces between chains.

  • C–B · 2004 Ų buried · 16 hydrogen bonds · protein-protein
  • E–J · 1965 Ų buried · 16 hydrogen bonds · protein-protein
  • H–M · 1961 Ų buried · 22 hydrogen bonds · protein-protein
  • G–L · 1936 Ų buried · 15 hydrogen bonds · protein-protein
  • C–I · 1931 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 6U0U · Protofilament Ribbon Flagellar Proteins Rib43a-L · the same entry in another collection · chain M against M, TM-score 1.00

Analyse

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