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Complex structure of Methane monooxygenase hydroxylase and regulatory subunit H33A
Analyse Complex structure of Methane monooxygenase hydroxylase and regulatory subunit… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7S6T
- Type
- protein
- Length
- 2,417 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.82
- Source
- Methylosinus trichosporium OB3b
- Molecule
- Methane monooxygenase component A alpha chain; Methane monooxygenase beta chain; Methane…
- UniProt
- A0A2D2D5X0, A0A2D2D5X7, A0A2D2D0T0, A0A2D2D0T8
- Ligands
- BEZ, FE
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · resolution 1.82 · 5 distinct chains · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Methane monooxygenase component A alpha chain | protein | 515 | 61% helix, 4% strand | A0A2D2D5X0 |
| B, F | Methane monooxygenase beta chain | protein | 392 | 65% helix, 1% strand | A0A2D2D5X7 |
| C, G | Methane monooxygenase gamma chain | protein | 168 | 63% helix, 4% strand | A0A2D2D0T0 |
| D | Methane monooxygenase regulatory protein B | protein | 131 | 40% helix, 31% strand | A0A2D2D0T8 |
| H | Methane monooxygenase regulatory protein B | protein | 136 | 38% helix, 28% strand | A0A2D2D0T8 |
Ligands and binding sites
- BEZ · Benzoic acid · ligand · 2 copies · chains A, E
- FE · Fe (III) ion · metal · 4 copies · chains A, E
- EDO · 1,2-ethanediol · additive · 50 copies · chains A, D, B, C, E, F, H, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 811 | 0.86 | 0.89 | 75 | EDO |
| 2 | 147 | 0.82 | 0.98 | 36 | EDO |
| 3 | 146 | 0.81 | 0.97 | 32 | EDO |
| 4 | 103 | 0.79 | 0.98 | 23 | empty |
| 5 | 101 | 0.78 | 0.98 | 25 | empty |
Interfaces
18 interfaces between chains.
- A–B · 5399 Ų buried · 94 hydrogen bonds · protein-protein
- E–F · 5378 Ų buried · 90 hydrogen bonds · protein-protein
- A–D · 2717 Ų buried · 41 hydrogen bonds · protein-protein
- E–H · 2714 Ų buried · 40 hydrogen bonds · protein-protein
- E–G · 2214 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 7S6T · Complex structure of methane monooxygenase hydroxylase and regulatory subunit H33A · 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 A0A2D2D5X0
- Every structure of UniProt A0A2D2D5X7
- Every structure of UniProt A0A2D2D0T0
- Every structure of UniProt A0A2D2D0T8
- Elsewhere: RCSB PDB 7S6T · PDBe 7S6T · UniProt A0A2D2D5X0 · UniProt A0A2D2D5X7 · UniProt A0A2D2D0T0 · UniProt A0A2D2D0T8
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