MolNFT v1 · #179093 · protein
Crystal structure of alkanesulfonate monooxygenase msud from pseudomonas fluorescens
7JV3: “Crystal structure of alkanesulfonate monooxygenase msud from pseudomonas fluorescens”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #179093 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7JV3
- Type
- protein
- Length
- 2,558 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkanesulfonate monooxygenase
- EC
- 1.14.14.5
- UniProt
- Q3K9A1
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 6 distinct chains · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkanesulfonate monooxygenase (EC 1.14.14.5) | protein | 316 | 41% helix, 22% strand | Q3K9A1 |
| B | Alkanesulfonate monooxygenase (EC 1.14.14.5) | protein | 317 | 42% helix, 22% strand | Q3K9A1 |
| C, F | Alkanesulfonate monooxygenase (EC 1.14.14.5) | protein | 321 | 41% helix, 21% strand | Q3K9A1 |
| D, G | Alkanesulfonate monooxygenase (EC 1.14.14.5) | protein | 324 | 40% helix, 20% strand | Q3K9A1 |
| E | Alkanesulfonate monooxygenase (EC 1.14.14.5) | protein | 315 | 42% helix, 20% strand | Q3K9A1 |
| H | Alkanesulfonate monooxygenase (EC 1.14.14.5) | protein | 320 | 41% helix, 21% strand | Q3K9A1 |
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 | 743 | 0.79 | 0.83 | 61 | empty |
| 2 | 853 | 0.78 | 0.81 | 65 | empty |
| 3 | 695 | 0.78 | 0.82 | 57 | empty |
| 4 | 103 | 0.76 | 0.96 | 21 | empty |
| 5 | 904 | 0.75 | 0.79 | 93 | empty |
Interfaces
12 interfaces between chains.
- C–D · 2022 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 2005 Ų buried · 28 hydrogen bonds · protein-protein
- E–F · 1992 Ų buried · 26 hydrogen bonds · protein-protein
- G–H · 1989 Ų buried · 22 hydrogen bonds · protein-protein
- A–D · 797 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 7JV3 · Crystal structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens · 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 Q3K9A1
- Elsewhere: RCSB PDB 7JV3 · PDBe 7JV3 · UniProt Q3K9A1
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