MolNFT v1 · #144167 · protein
Predicting the conformational variability of abl tyrosine kinase using molecular dynamics simulations and markov state models
6BL8: “Predicting the conformational variability of abl tyrosine kinase using molecular dynamics simulations and…”. X-ray diffraction, 2 ligands (PVB, SO4). MolNFT v1 #144167 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BL8
- Type
- protein
- Length
- 538 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P00519
- Ligands
- PVB, SO4
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 270 | — | P00519 |
| B | — | protein | 268 | — | P00519 |
Ligands and binding sites
- PVB · Purvalanol B · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6BL8 · Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics… · the same entry in another collection · chain A against A, TM-score 1.00
- P00519 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase ABL1 (P00519) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P00519
- Elsewhere: RCSB PDB 6BL8 · PDBe 6BL8 · UniProt P00519
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