Research workbench
Crystal structure of the pseudomonas aeruginosa enoyl-acyl carrier protein reductase (fabi) in apo form
Analyse Crystal structure of the pseudomonas aeruginosa enoyl-acyl carrier protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NQZ
- Type
- protein
- Length
- 3,926 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-[acyl-carrier-protein] reductase [NADH] fabi
- EC
- 1.3.1.9
- UniProt
- Q9ZFE4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 13 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 248 | 47% helix, 15% strand | Q9ZFE4 |
| B | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 243 | 43% helix, 16% strand | Q9ZFE4 |
| C, J | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 245 | 46% helix, 16% strand | Q9ZFE4 |
| D | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 246 | 45% helix, 15% strand | Q9ZFE4 |
| E, G, I | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 244 | 43% helix, 15% strand | Q9ZFE4 |
| F | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 245 | 47% helix, 15% strand | Q9ZFE4 |
| H | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 248 | 46% helix, 15% strand | Q9ZFE4 |
| K | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 246 | 44% helix, 15% strand | Q9ZFE4 |
| L | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 244 | 44% helix, 14% strand | Q9ZFE4 |
| M | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 245 | 49% helix, 15% strand | Q9ZFE4 |
| N | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 244 | 48% helix, 15% strand | Q9ZFE4 |
| O | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 247 | 42% helix, 14% strand | Q9ZFE4 |
| P | Enoyl-[acyl-carrier-protein] reductase [NADH] fabi (EC 1.3.1.9) | protein | 248 | 48% helix, 15% strand | Q9ZFE4 |
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 | 1103 | 0.85 | 0.86 | 55 | empty |
| 2 | 1139 | 0.85 | 0.86 | 52 | empty |
| 3 | 1114 | 0.85 | 0.86 | 48 | empty |
| 4 | 1171 | 0.84 | 0.85 | 58 | empty |
| 5 | 723 | 0.69 | 0.76 | 86 | empty |
Interfaces
31 interfaces between chains.
- C–D · 1717 Ų buried · 34 hydrogen bonds · protein-protein
- M–N · 1689 Ų buried · 40 hydrogen bonds · protein-protein
- O–P · 1687 Ų buried · 33 hydrogen bonds · protein-protein
- E–F · 1685 Ų buried · 35 hydrogen bonds · protein-protein
- K–L · 1677 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 4NQZ · Crystal Structure of the Pseudomonas aeruginosa Enoyl-Acyl Carrier Protein Reductase… · the same entry in another collection · chain K against K, 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 Q9ZFE4
- Elsewhere: RCSB PDB 4NQZ · PDBe 4NQZ · UniProt Q9ZFE4
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