GL1X · GenesisL1 explorer

MolNFT v1 · #144388 · protein

Tubulin-RB3_SLD-ttl in complex with heterocyclic pyrimidine compound 6A

6BRY: “Tubulin-RB3_SLD-ttl in complex with heterocyclic pyrimidine compound 6A”. X-ray diffraction, 6 ligands (GTP, GDP, GK9). MolNFT v1 #144388 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6BRY
Type
protein
Length
2,179 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q2XVP4, A0A287AGU7, Q9H169, E1BQ43
Ligands
GTP, GDP, GK9, ACP, MG, CA

Structure

x-ray diffraction · 6 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein437—Q2XVP4
B—protein428—A0A287AGU7
C—protein440—Q2XVP4
D—protein421—A0A287AGU7
E—protein121—Q9H169
F—protein332—E1BQ43

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, C, D
  • GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains B, D
  • GK9 · 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3, 4-tetrahydroquinoline · ligand · 2 copies · chains A, B, C, D
  • ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains F
  • MG · Magnesium ion · metal · 4 copies · chains A, B, C, F
  • CA · Calcium ion · metal · 2 copies · chains A, C
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 3 copies · chains B, C

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

Compared structures

  • 6BRY · Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a · the same entry in another collection · chain C against C, TM-score 1.00
  • Q9H169 · AlphaFold monomer V2.0 prediction for stathmin-4 (Q9H169) · a predicted model of the same protein · chain E against A, TM-score 0.76

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