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MolNFT v1 · #175270 · protein

Crystal structure of T2R-ttl-cevipabulin complex

7CLD: “Crystal structure of T2R-ttl-cevipabulin complex”. X-ray diffraction, 6 ligands (GTP, G2X, GDP). MolNFT v1 #175270 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7CLD
Type
protein
Length
2,196 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q2XVP4, A0A287AGU7, P63043, E1BQ43
Ligands
GTP, G2X, GDP, ACP, CA, MG

Structure

x-ray diffraction · 6 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein438—Q2XVP4
B—protein418—A0A287AGU7
C—protein440—Q2XVP4
D—protein426—A0A287AGU7
E—protein123—P63043
F—protein351—E1BQ43

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 3 copies · chains A, B, C, D
  • G2X · 6-[2,6-bis(fluoranyl)-4-[3-(methylamino) propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine · ligand · 2 copies · chains B, C
  • GDP · Guanosine-5'-diphosphate · ligand · chains B
  • ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains F
  • CA · Calcium ion · metal · 7 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · 5 copies · chains A, B, C, D, F
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B

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

Compared structures

  • 7CLD · Crystal structure of T2R-TTL-Cevipabulin complex · the same entry in another collection · chain A against A, TM-score 1.00

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