MolNFT v1 · #178588 · protein
Auristatin bound to tubulin
7JFR: “Auristatin bound to tubulin”. X-ray diffraction, 7 ligands (GTP, GDP, 3WT). MolNFT v1 #178588 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7JFR
- Type
- protein
- Length
- 2,199 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P81947, Q6B856, P63043, E1BQ43
- Ligands
- GTP, GDP, 3WT, 3WU, ACP, MG, CA
Structure
x-ray diffraction · 7 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 439 | — | P81947 |
| B | — | protein | 428 | — | Q6B856 |
| C | — | protein | 440 | — | P81947 |
| D | — | protein | 422 | — | Q6B856 |
| E | — | protein | 123 | — | P63043 |
| F | — | protein | 344 | — | E1BQ43 |
| L | — | protein | 3 | — | — |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B, C, D
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains B, L, D
- 3WT · (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid · ligand · chains B, C, L
- 3WU · (2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid · ligand · chains B, C, L
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains F
- MG · Magnesium ion · metal · 5 copies · chains A, B, C, D
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7JFR · Auristatin bound to tubulin · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P81947
- Every structure of UniProt Q6B856
- Every structure of UniProt P63043
- Every structure of UniProt E1BQ43
- Elsewhere: RCSB PDB 7JFR · PDBe 7JFR · UniProt P81947 · UniProt Q6B856 · UniProt P63043 · UniProt E1BQ43
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