MolNFT v1 · #16326 · protein
Deletion mutant (delta 141) of molybdopterin synthase
1NVJ · Molybdopterin converting factor subunit 2: “Deletion mutant (delta 141) of molybdopterin synthase”. X-ray diffraction, 1 ligand (NA), 10 pockets (best druggability 0.77). MolNFT v1 #16326 on GenesisL1: 3D structure, binding sites…
- PDB
- 1NVJ
- Type
- protein
- Length
- 740 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Molybdopterin converting factor subunit 2
- UniProt
- P30749
- Ligands
- NA
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 6 distinct chains · 34% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Molybdopterin converting factor subunit 2 | protein | 118 | 35% helix, 34% strand | P30749 |
| B | Molybdopterin converting factor subunit 2 | protein | 126 | 33% helix, 34% strand | P30749 |
| C | Molybdopterin converting factor subunit 2 | protein | 124 | 36% helix, 35% strand | P30749 |
| D | Molybdopterin converting factor subunit 2 | protein | 135 | 31% helix, 35% strand | P30749 |
| E | Molybdopterin converting factor subunit 2 | protein | 118 | 36% helix, 36% strand | P30749 |
| F | Molybdopterin converting factor subunit 2 | protein | 119 | 34% helix, 36% strand | P30749 |
Ligands and binding sites
- NA · Sodium ion · metal · 4 copies · chains A, B, C, D, E, F
- GOL · Glycerol · additive · 8 copies · chains A, E, B, C, D
- FMT · Formic acid · additive · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 877 | 0.77 | 0.80 | 57 | GOL, NA |
| 2 | 247 | 0.67 | 0.84 | 27 | FMT |
| 3 | 268 | 0.62 | 0.80 | 33 | FMT |
| 4 | 233 | 0.46 | 0.73 | 44 | GOL |
| 5 | 106 | 0.39 | 0.75 | 19 | FMT |
Interfaces
7 interfaces between chains.
- E–F · 1390 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 1329 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1302 Ų buried · 27 hydrogen bonds · protein-protein
- B–C · 514 Ų buried · 14 hydrogen bonds · protein-protein
- B–F · 302 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1NVJ · Deletion Mutant (Delta 141) of Molybdopterin Synthase · the same entry in another collection · chain F against F, TM-score 1.00
- P30749 · AlphaFold monomer V2.0 prediction for molybdopterin synthase catalytic subunit (P30749) · 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 P30749
- Elsewhere: RCSB PDB 1NVJ · PDBe 1NVJ · UniProt P30749
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