MolNFT v1 · #162770 · protein
Mincd filament from pseudomonas aeruginosa
6RIQ: “Mincd filament from pseudomonas aeruginosa”. Electron microscopy, 2 ligands (ATP, MG), 20 pockets (best druggability 0.88). MolNFT v1 #162770 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6RIQ
- Type
- protein
- Length
- 3,971 residues
- Chains
- 22
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Minc; Site-determining protein
- UniProt
- A0A2R4B4N7, A0A071KWM5
- Ligands
- ATP, MG
- Pockets
- 20 · best druggability 0.88
Structure
electron microscopy · 2 distinct chains · 30% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E, F, H, I, L, O, P, S, T | Minc | protein | 107 | 6% helix, 50% strand | A0A2R4B4N7 |
| C, D, G, J, K, M, N, Q, R, U, V | Site-determining protein | protein | 254 | 40% helix, 17% strand | A0A071KWM5 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 11 copies · chains C, D, G, J, K, M, N, Q, R, U, V
- MG · Magnesium ion · metal · 11 copies · chains C, D, G, J, K, M, N, Q, R, U, V
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 822 | 0.88 | 0.91 | 102 | MG, ATP |
| 2 | 839 | 0.88 | 0.90 | 100 | MG, ATP |
| 3 | 804 | 0.87 | 0.90 | 94 | MG, ATP |
| 4 | 804 | 0.87 | 0.90 | 99 | MG, ATP |
| 5 | 765 | 0.87 | 0.90 | 90 | MG, ATP |
Interfaces
46 interfaces between chains.
- M–N · 1657 Ų buried · 17 hydrogen bonds · protein-protein
- U–V · 1656 Ų buried · 17 hydrogen bonds · protein-protein
- J–K · 1653 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1653 Ų buried · 17 hydrogen bonds · protein-protein
- Q–R · 1652 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 covalent (covalent ligand).
Compared structures
- 6RIQ · MinCD filament from Pseudomonas aeruginosa · 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 A0A2R4B4N7
- Every structure of UniProt A0A071KWM5
- Elsewhere: RCSB PDB 6RIQ · PDBe 6RIQ · UniProt A0A2R4B4N7 · UniProt A0A071KWM5
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