MolNFT v1 · #120737 · protein
Crystal structure of native nald at resolution of 2.9, the secondary repressor of mexab-oprm multidrug efflux pump in pseudomonas aeruginosa
5H9T: “Crystal structure of native nald at resolution of 2.9, the secondary repressor of mexab-oprm multidrug efflux…”. X-ray diffraction, 11 pockets (best druggability 0.88). MolNFT v1 #120737 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5H9T
- Type
- protein
- Length
- 1,567 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nald
- UniProt
- Q9HY46
- Pockets
- 11 · best druggability 0.88
Structure
x-ray diffraction · 8 distinct chains · 77% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nald | protein | 197 | 77% helix, 1% strand | Q9HY46 |
| B | Nald | protein | 195 | 77% helix, 1% strand | Q9HY46 |
| C | Nald | protein | 195 | 77% helix, 2% strand | Q9HY46 |
| D | Nald | protein | 192 | 77% helix, 2% strand | Q9HY46 |
| E | Nald | protein | 193 | 77% helix, 1% strand | Q9HY46 |
| F | Nald | protein | 198 | 76% helix, 1% strand | Q9HY46 |
| G | Nald | protein | 198 | 75% helix, 1% strand | Q9HY46 |
| H | Nald | protein | 199 | 76% helix, 1% strand | Q9HY46 |
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 802 | 0.88 | 0.90 | 83 | empty |
| 2 | 727 | 0.87 | 0.90 | 69 | empty |
| 3 | 515 | 0.83 | 0.89 | 50 | empty |
| 4 | 307 | 0.81 | 0.91 | 37 | empty |
| 5 | 337 | 0.80 | 0.89 | 35 | empty |
Interfaces
9 interfaces between chains.
- C–D · 2020 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1962 Ų buried · 30 hydrogen bonds · protein-protein
- G–H · 1960 Ų buried · 33 hydrogen bonds · protein-protein
- E–F · 1957 Ų buried · 29 hydrogen bonds · protein-protein
- A–H · 554 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5H9T · Crystal structure of native NalD at resolution of 2.9, the secondary repressor of… · 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 Q9HY46
- Elsewhere: RCSB PDB 5H9T · PDBe 5H9T · UniProt Q9HY46
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