Research workbench
Crystal structure of uncharacterized protein from bacillus cereus G9241 (csap target)
Analyse Crystal structure of uncharacterized protein from bacillus cereus G9241 (csap… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DBY
- Type
- protein
- Length
- 5,238 residues
- Chains
- 20
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q4MWP8
- Ligands
- FE
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 9 distinct chains · 75% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E, G, I, K, O, S | Uncharacterized protein | protein | 257 | 77% helix, 2% strand | Q4MWP8 |
| B | Uncharacterized protein | protein | 266 | 75% helix, 2% strand | Q4MWP8 |
| C, F, T | Uncharacterized protein | protein | 267 | 74% helix, 1% strand | Q4MWP8 |
| D, J, P, Q | Uncharacterized protein | protein | 266 | 74% helix, 2% strand | Q4MWP8 |
| H | Uncharacterized protein | protein | 265 | 75% helix, 2% strand | Q4MWP8 |
| L | Uncharacterized protein | protein | 260 | 76% helix, 2% strand | Q4MWP8 |
| M | Uncharacterized protein | protein | 259 | 77% helix, 2% strand | Q4MWP8 |
| N | Uncharacterized protein | protein | 259 | 76% helix, 2% strand | Q4MWP8 |
| R | Uncharacterized protein | protein | 265 | 74% helix, 2% strand | Q4MWP8 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 40 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T
- EDO · 1,2-ethanediol · additive · 2 copies · chains B, R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 975 | 0.84 | 0.85 | 102 | empty |
| 2 | 892 | 0.84 | 0.86 | 100 | empty |
| 3 | 905 | 0.84 | 0.86 | 100 | empty |
| 4 | 890 | 0.84 | 0.86 | 100 | empty |
| 5 | 1143 | 0.84 | 0.85 | 102 | empty |
Interfaces
22 interfaces between chains.
- A–B · 1309 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1302 Ų buried · 18 hydrogen bonds · protein-protein
- R–T · 1301 Ų buried · 18 hydrogen bonds · protein-protein
- G–H · 1295 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1284 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide (disulfide).
Compared structures
- 3DBY · Crystal structure of uncharacterized protein from Bacillus cereus G9241 (CSAP Target) · 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 Q4MWP8
- Elsewhere: RCSB PDB 3DBY · PDBe 3DBY · UniProt Q4MWP8
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