MolNFT v1 · #114958 · protein
Crystal structure of the periplasmic region of macb from E. COLI
5C59 · Macrolide export ATP-BINDING/PERMEASE protein macb: “Crystal structure of the periplasmic region of macb from E. COLI”. X-ray diffraction, 17 pockets (best druggability 0.55). MolNFT v1 #114958 on GenesisL1: 3D structure, binding…
- PDB
- 5C59
- Type
- protein
- Length
- 1,096 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrolide export ATP-BINDING/PERMEASE protein macb
- EC
- 3.6.3.-
- UniProt
- Q0TJH0
- Pockets
- 17 · best druggability 0.55
Structure
x-ray diffraction · 7 distinct chains · 21% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrolide export ATP-BINDING/PERMEASE protein macb (EC 3.6.3.-) | protein | 183 | 26% helix, 38% strand | Q0TJH0 |
| B | Macrolide export ATP-BINDING/PERMEASE protein macb (EC 3.6.3.-) | protein | 175 | 25% helix, 39% strand | Q0TJH0 |
| C | Macrolide export ATP-BINDING/PERMEASE protein macb (EC 3.6.3.-) | protein | 173 | 23% helix, 38% strand | Q0TJH0 |
| D | Macrolide export ATP-BINDING/PERMEASE protein macb (EC 3.6.3.-) | protein | 179 | 21% helix, 40% strand | Q0TJH0 |
| E | Macrolide export ATP-BINDING/PERMEASE protein macb (EC 3.6.3.-) | protein | 91 | 10% helix, 33% strand | Q0TJH0 |
| F | Macrolide export ATP-BINDING/PERMEASE protein macb (EC 3.6.3.-) | protein | 144 | 17% helix, 41% strand | Q0TJH0 |
| G | Macrolide export ATP-BINDING/PERMEASE protein macb (EC 3.6.3.-) | protein | 151 | 22% helix, 38% strand | Q0TJH0 |
Pockets
17 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 148 | 0.55 | 0.81 | 18 | empty |
| 2 | 110 | 0.50 | 0.81 | 15 | empty |
| 3 | 79 | 0.50 | 0.84 | 20 | empty |
| 4 | 183 | 0.45 | 0.75 | 30 | empty |
| 5 | 80 | 0.41 | 0.78 | 17 | empty |
Interfaces
6 interfaces between chains.
- B–F · 533 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 530 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 504 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 493 Ų buried · 9 hydrogen bonds · protein-protein
- F–G · 350 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 26 modified (engineered).
Compared structures
- 5C59 · Crystal structure of the periplasmic region of MacB from E. coli · the same entry in another collection · chain G against G, TM-score 1.00
- Q0TJH0 · AlphaFold monomer V2.0 prediction for macrolide export ATP- BINDING/PERMEASE protein macb… · a predicted model of the same protein · chain E against A, TM-score 0.83
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 Q0TJH0
- Elsewhere: RCSB PDB 5C59 · PDBe 5C59 · UniProt Q0TJH0
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