MolNFT v1 · #66226 · protein
Crystal structure of a putative snoal-like polyketide cyclase [carbohydrate phosphatase] (MLR7391) from mesorhizobium loti at 1.96 a resolution
3HK4 · MLR7391 protein: “Crystal structure of a putative snoal-like polyketide cyclase [carbohydrate phosphatase] (MLR7391) from…”. X-ray diffraction, 5 pockets (best druggability 0.80). MolNFT v1 #66226 on GenesisL1: 3D structure, binding…
- PDB
- 3HK4
- Type
- protein
- Length
- 470 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MLR7391 protein
- UniProt
- Q986E8
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | MLR7391 protein | protein | 118 | 29% helix, 48% strand | Q986E8 |
| C, D | MLR7391 protein | protein | 117 | 29% helix, 49% strand | Q986E8 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 578 | 0.80 | 0.85 | 49 | empty |
| 2 | 712 | 0.78 | 0.82 | 63 | empty |
| 3 | 605 | 0.77 | 0.83 | 65 | empty |
| 4 | 617 | 0.77 | 0.83 | 66 | empty |
| 5 | 60 | 0.40 | 0.81 | 17 | empty |
Interfaces
5 interfaces between chains.
- A–B · 949 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 941 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 226 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 211 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 209 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3HK4 · Crystal structure of a putative snoal-like polyketide cyclase [carbohydrate phosphatase]… · 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 Q986E8
- Elsewhere: RCSB PDB 3HK4 · PDBe 3HK4 · UniProt Q986E8
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