MolNFT v1 · #40074 · protein
Crystal structure of dihydroxynapthoic acid synthetase (GK2873) from geobacillus kaustophilus HTA426
2IEX: “Crystal structure of dihydroxynapthoic acid synthetase (GK2873) from geobacillus kaustophilus HTA426”. X-ray diffraction, 7 pockets (best druggability 0.72). MolNFT v1 #40074 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2IEX
- Type
- protein
- Length
- 759 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroxynapthoic acid synthetase
- EC
- 4.1.3.36
- UniProt
- Q5KVX8
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Dihydroxynapthoic acid synthetase (EC 4.1.3.36) | protein | 253 | 48% helix, 17% strand | Q5KVX8 |
| B | Dihydroxynapthoic acid synthetase (EC 4.1.3.36) | protein | 253 | 50% helix, 17% strand | Q5KVX8 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 546 | 0.72 | 0.81 | 68 | empty |
| 2 | 202 | 0.56 | 0.79 | 29 | empty |
| 3 | 271 | 0.54 | 0.76 | 39 | empty |
| 4 | 184 | 0.43 | 0.74 | 30 | empty |
| 5 | 102 | 0.41 | 0.77 | 20 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1258 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1247 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1219 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 2IEX · Crystal structure of dihydroxynapthoic acid synthetase (GK2873) from Geobacillus… · 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 Q5KVX8
- Elsewhere: RCSB PDB 2IEX · PDBe 2IEX · UniProt Q5KVX8
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