MolNFT v1 · #91524 · protein
Crystal structure of putative maoc-like (monoamine oxidase-like) protein, similar to nodn from sinorhizo bium meliloti 1021
4FFU: “Crystal structure of putative maoc-like (monoamine oxidase-like) protein, similar to nodn from sinorhizo bium…”. X-ray diffraction, 1 ligand (CL), 20 pockets (best druggability 0.86). MolNFT v1 #91524 on GenesisL1: 3D structure…
- PDB
- 4FFU
- Type
- protein
- Length
- 1,785 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidase
- EC
- 1.4.3.4
- UniProt
- Q92VL2
- Ligands
- CL
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 10 distinct chains · 22% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidase (EC 1.4.3.4) | protein | 155 | 21% helix, 37% strand | Q92VL2 |
| B | Oxidase (EC 1.4.3.4) | protein | 150 | 22% helix, 36% strand | Q92VL2 |
| C | Oxidase (EC 1.4.3.4) | protein | 150 | 21% helix, 35% strand | Q92VL2 |
| D | Oxidase (EC 1.4.3.4) | protein | 147 | 22% helix, 35% strand | Q92VL2 |
| E, L | Oxidase (EC 1.4.3.4) | protein | 151 | 21% helix, 34% strand | Q92VL2 |
| F, G | Oxidase (EC 1.4.3.4) | protein | 145 | 22% helix, 36% strand | Q92VL2 |
| H | Oxidase (EC 1.4.3.4) | protein | 156 | 22% helix, 35% strand | Q92VL2 |
| I | Oxidase (EC 1.4.3.4) | protein | 157 | 22% helix, 34% strand | Q92VL2 |
| J | Oxidase (EC 1.4.3.4) | protein | 143 | 24% helix, 36% strand | Q92VL2 |
| K | Oxidase (EC 1.4.3.4) | protein | 135 | 26% helix, 35% strand | Q92VL2 |
Ligands and binding sites
- CL · Chloride ion · ion · chains H
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 | 333 | 0.86 | 0.96 | 43 | empty |
| 2 | 328 | 0.86 | 0.96 | 43 | empty |
| 3 | 879 | 0.84 | 0.86 | 102 | empty |
| 4 | 820 | 0.84 | 0.87 | 84 | empty |
| 5 | 1002 | 0.81 | 0.82 | 76 | empty |
Interfaces
35 interfaces between chains.
- D–I · 1593 Ų buried · 22 hydrogen bonds · protein-protein
- A–E · 1558 Ų buried · 21 hydrogen bonds · protein-protein
- C–H · 1536 Ų buried · 22 hydrogen bonds · protein-protein
- B–L · 1491 Ų buried · 21 hydrogen bonds · protein-protein
- F–J · 1382 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
- 4FFU · CRYSTAL STRUCTURE OF putative MaoC-like (monoamine oxidase-like) protein, similar to NodN… · 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 Q92VL2
- Elsewhere: RCSB PDB 4FFU · PDBe 4FFU · UniProt Q92VL2
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