MolNFT v1 · #33297 · protein
The bifunctional dihydroneopterin aldolase 6-hydroxymethyl- 7,8-dihydropterin synthase from streptococcus pneumoniae
2CG8 · Dihydroneopterin aldolase 6-hydroxymethyl-7,8…: “The bifunctional dihydroneopterin aldolase 6-hydroxymethyl- 7,8-dihydropterin synthase from streptococcus…”. X-ray diffraction, 19 pockets (best druggability 0.74). MolNFT v1 #33297…
- PDB
- 2CG8
- Type
- protein
- Length
- 981 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroneopterin aldolase 6-hydroxymethyl-7,8- dihydropterin synthase
- EC
- 4.1.2.25, 2.7.6.3
- UniProt
- P59657
- Pockets
- 19 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroneopterin aldolase 6-hydroxymethyl-7,8- dihydropterin synthase (EC 4.1.2.25, 2.7.6.3) | protein | 240 | 35% helix, 31% strand | P59657 |
| B | Dihydroneopterin aldolase 6-hydroxymethyl-7,8- dihydropterin synthase (EC 4.1.2.25, 2.7.6.3) | protein | 247 | 35% helix, 30% strand | P59657 |
| C | Dihydroneopterin aldolase 6-hydroxymethyl-7,8- dihydropterin synthase (EC 4.1.2.25, 2.7.6.3) | protein | 248 | 36% helix, 29% strand | P59657 |
| D | Dihydroneopterin aldolase 6-hydroxymethyl-7,8- dihydropterin synthase (EC 4.1.2.25, 2.7.6.3) | protein | 246 | 35% helix, 29% strand | P59657 |
Pockets
19 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.74 | 0.98 | 16 | empty |
| 2 | 61 | 0.72 | 0.98 | 16 | empty |
| 3 | 578 | 0.68 | 0.77 | 65 | empty |
| 4 | 540 | 0.64 | 0.76 | 48 | empty |
| 5 | 100 | 0.61 | 0.87 | 19 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1616 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1502 Ų buried · 22 hydrogen bonds · protein-protein
- A–D · 764 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 755 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 37 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2CG8 · The bifunctional dihydroneopterin aldolase 6-hydroxymethyl-7,8- dihydropterin synthase… · the same entry in another collection · chain D against D, TM-score 1.00
- P59657 · AlphaFold monomer V2.0 prediction for bifunctional folate synthesis protein (P59657) · a predicted model of the same protein · chain B 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 P59657
- Elsewhere: RCSB PDB 2CG8 · PDBe 2CG8 · UniProt P59657
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