MolNFT v1 · #109782 · protein
Crystal structure of molybdenum cofactor biosynthesis protein moga from helicobacter pylori str. J99
4XCW · Molybdopterin adenylyltransferase: “Crystal structure of molybdenum cofactor biosynthesis protein moga from helicobacter pylori str. J99”. X-ray diffraction, 11 pockets (best druggability 0.74). MolNFT v1 #109782 on GenesisL1: 3D…
- PDB
- 4XCW
- Type
- protein
- Length
- 1,052 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Molybdopterin adenylyltransferase
- EC
- 2.7.7.75
- UniProt
- Q9ZL45
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 6 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Molybdopterin adenylyltransferase (EC 2.7.7.75) | protein | 173 | 42% helix, 20% strand | Q9ZL45 |
| B | Molybdopterin adenylyltransferase (EC 2.7.7.75) | protein | 178 | 41% helix, 20% strand | Q9ZL45 |
| C | Molybdopterin adenylyltransferase (EC 2.7.7.75) | protein | 177 | 41% helix, 20% strand | Q9ZL45 |
| D | Molybdopterin adenylyltransferase (EC 2.7.7.75) | protein | 175 | 42% helix, 20% strand | Q9ZL45 |
| E | Molybdopterin adenylyltransferase (EC 2.7.7.75) | protein | 176 | 41% helix, 20% strand | Q9ZL45 |
| F | Molybdopterin adenylyltransferase (EC 2.7.7.75) | protein | 173 | 41% helix, 20% strand | Q9ZL45 |
Pockets
11 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 540 | 0.74 | 0.82 | 41 | empty |
| 2 | 672 | 0.74 | 0.80 | 43 | empty |
| 3 | 599 | 0.72 | 0.80 | 49 | empty |
| 4 | 600 | 0.69 | 0.78 | 48 | empty |
| 5 | 566 | 0.67 | 0.77 | 47 | empty |
Interfaces
9 interfaces between chains.
- D–F · 770 Ų buried · 7 hydrogen bonds · protein-protein
- E–F · 767 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 765 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 761 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 761 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4XCW · Crystal structure of molybdenum cofactor biosynthesis protein MogA from Helicobacter… · the same entry in another collection · chain F against F, TM-score 1.00
- Q9ZL45 · AlphaFold monomer V2.0 prediction for molybdopterin adenylyltransferase (Q9ZL45) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9ZL45
- Elsewhere: RCSB PDB 4XCW · PDBe 4XCW · UniProt Q9ZL45
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