MolNFT v1 · #182141 · protein
Signal subtracted reconstruction of AAA2, AAA3, and AAA4 domains of dynein in the presence of a pyrazolo-pyrimidinone-based compound, model 4
7MI3 · Fusion protein of dynein and endolysin: “Signal subtracted reconstruction of AAA2, AAA3, and AAA4 domains of dynein in the presence of a…”. Electron microscopy, 3 ligands (ZG7, ATP, MG), 16 pockets (best druggability 0.86). MolNFT…
- PDB
- 7MI3
- Type
- protein
- Length
- 1,192 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion protein of dynein and endolysin
- UniProt
- P36022
- Ligands
- ZG7, ATP, MG
- Pockets
- 16 · best druggability 0.86
Structure
electron microscopy · 1 distinct chain · 50% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fusion protein of dynein and endolysin | protein | 1192 | 50% helix, 14% strand | P36022 |
Ligands and binding sites
- ZG7 · (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl) cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile · ligand · 2 copies · chains A
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1107 | 0.86 | 0.87 | 120 | ZG7 |
| 2 | 1009 | 0.85 | 0.86 | 119 | ZG7 |
| 3 | 140 | 0.73 | 0.92 | 26 | empty |
| 4 | 570 | 0.72 | 0.80 | 58 | ATP, MG |
| 5 | 62 | 0.65 | 0.93 | 20 | empty |
Compared structures
- 7MI3 · Signal subtracted reconstruction of AAA2, AAA3, and AAA4 domains of dynein in the… · 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 P36022
- Elsewhere: RCSB PDB 7MI3 · PDBe 7MI3 · UniProt P36022
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