MolNFT v1 · #27174 · protein
1.9A crystal structure of the protein isdg from staphylococcus aureus aureus, structural genomics, mcsg
1XBW · Hypothetical protein isdg: “1.9A crystal structure of the protein isdg from staphylococcus aureus aureus, structural genomics, mcsg”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #27174 on GenesisL1: 3D…
- PDB
- 1XBW
- Type
- protein
- Length
- 383 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein isdg
- UniProt
- Q8NX62
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 21% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein isdg | protein | 99 | 26% helix, 45% strand | Q8NX62 |
| B | Hypothetical protein isdg | protein | 96 | 16% helix, 47% strand | Q8NX62 |
| C | Hypothetical protein isdg | protein | 90 | 17% helix, 50% strand | Q8NX62 |
| D | Hypothetical protein isdg | protein | 98 | 24% helix, 45% strand | Q8NX62 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 758 | 0.71 | 0.77 | 69 | empty |
| 2 | 195 | 0.66 | 0.85 | 29 | empty |
| 3 | 121 | 0.65 | 0.88 | 20 | empty |
| 4 | 105 | 0.41 | 0.76 | 16 | empty |
| 5 | 79 | 0.36 | 0.75 | 14 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1598 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 1567 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 244 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 111 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 64 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1XBW · 1.9A Crystal Structure of the protein isdG from Staphylococcus aureus aureus, Structural… · the same entry in another collection · chain D against D, TM-score 1.00
- Q8NX62 · AlphaFold monomer V2.0 prediction for heme oxygenase (staphylobilin- producing) 1 (Q8NX62) · a predicted model of the same protein · chain D 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 Q8NX62
- Elsewhere: RCSB PDB 1XBW · PDBe 1XBW · UniProt Q8NX62
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