MolNFT v1 · #159259 · protein
Crystal structure of 1,4-dihydroxy-2-naphthoyl-CoA synthase elizabethkingia anophelis NUHP1
6OJM: “Crystal structure of 1,4-dihydroxy-2-naphthoyl-CoA synthase elizabethkingia anophelis NUHP1”. X-ray diffraction, 20 pockets (best druggability 0.88). MolNFT v1 #159259 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6OJM
- Type
- protein
- Length
- 1,616 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1,4-dihydroxy-2-naphthoyl-CoA synthase
- EC
- 4.1.3.36
- UniProt
- A0A077EJG6
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 4 distinct chains · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | 1,4-dihydroxy-2-naphthoyl-CoA synthase (EC 4.1.3.36) | protein | 266 | 45% helix, 19% strand | A0A077EJG6 |
| B, F | 1,4-dihydroxy-2-naphthoyl-CoA synthase (EC 4.1.3.36) | protein | 278 | 45% helix, 21% strand | A0A077EJG6 |
| D | 1,4-dihydroxy-2-naphthoyl-CoA synthase (EC 4.1.3.36) | protein | 263 | 46% helix, 18% strand | A0A077EJG6 |
| E | 1,4-dihydroxy-2-naphthoyl-CoA synthase (EC 4.1.3.36) | protein | 265 | 46% helix, 18% strand | A0A077EJG6 |
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 968 | 0.88 | 0.89 | 121 | empty |
| 2 | 1137 | 0.85 | 0.86 | 121 | empty |
| 3 | 449 | 0.78 | 0.86 | 46 | empty |
| 4 | 261 | 0.76 | 0.89 | 44 | empty |
| 5 | 730 | 0.74 | 0.80 | 73 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2356 Ų buried · 27 hydrogen bonds · protein-protein
- E–F · 2304 Ų buried · 26 hydrogen bonds · protein-protein
- C–D · 1969 Ų buried · 22 hydrogen bonds · protein-protein
- A–F · 207 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 126 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6OJM · Crystal structure of 1,4-dihydroxy-2-naphthoyl-CoA synthase Elizabethkingia anophelis… · 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 A0A077EJG6
- Elsewhere: RCSB PDB 6OJM · PDBe 6OJM · UniProt A0A077EJG6
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