MolNFT v1 · #27785 · protein
Soluble methane monooxygenase hydroxylase-soaked with bromophenol
1XU3 · Methane monooxygenase component a alpha chain: “Soluble methane monooxygenase hydroxylase-soaked with bromophenol”. X-ray diffraction, 2 ligands (BML, FE), 20 pockets (best druggability 0.79). MolNFT v1 #27785 on GenesisL1: 3D…
- PDB
- 1XU3
- Type
- protein
- Length
- 2,128 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methane monooxygenase component a alpha chain; Methane monooxygenase component a beta…
- EC
- 1.14.13.25
- UniProt
- P22869, P18798, P11987
- Ligands
- BML, FE
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 63% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Methane monooxygenase component a alpha chain (EC 1.14.13.25) | protein | 510 | 62% helix, 5% strand | P22869 |
| C, D | Methane monooxygenase component a beta chain (EC 1.14.13.25) | protein | 388 | 65% helix, 1% strand | P18798 |
| E | Methane monooxygenase component a gamma chain (EC 1.14.13.25) | protein | 166 | 64% helix, 6% strand | P11987 |
| F | Methane monooxygenase component a gamma chain (EC 1.14.13.25) | protein | 166 | 64% helix, 5% strand | P11987 |
Ligands and binding sites
- BML · 4-bromophenol · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.79 | 0.96 | 30 | empty |
| 2 | 87 | 0.78 | 0.99 | 30 | BML |
| 3 | 123 | 0.77 | 0.96 | 24 | empty |
| 4 | 758 | 0.76 | 0.81 | 87 | empty |
| 5 | 77 | 0.75 | 0.98 | 24 | empty |
Interfaces
10 interfaces between chains.
- A–C · 5285 Ų buried · 81 hydrogen bonds · protein-protein
- B–D · 5273 Ų buried · 83 hydrogen bonds · protein-protein
- A–E · 2282 Ų buried · 42 hydrogen bonds · protein-protein
- B–F · 2262 Ų buried · 43 hydrogen bonds · protein-protein
- C–D · 2066 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 1XU3 · Soluble methane monooxygenase hydroxylase-soaked with bromophenol · the same entry in another collection · chain F against F, TM-score 1.00
- P18798 · AlphaFold monomer V2.0 prediction for methane monooxygenase component a beta chain… · a predicted model of the same protein · chain C against A, TM-score 1.00
- P22869 · AlphaFold monomer V2.0 prediction for methane monooxygenase component a alpha chain… · a predicted model of the same protein · chain A against A, TM-score 1.00
- P11987 · AlphaFold monomer V2.0 prediction for methane monooxygenase component a gamma chain… · a predicted model of the same protein · chain E against A, TM-score 0.99
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 P22869
- Every structure of UniProt P18798
- Every structure of UniProt P11987
- Elsewhere: RCSB PDB 1XU3 · PDBe 1XU3 · UniProt P22869 · UniProt P18798 · UniProt P11987
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