Research workbench
Crystal structure of the hypthetical protein from bacillus cereus (atcc 14579). northeast structural genomics target BCR11
Analyse Crystal structure of the hypthetical protein from bacillus cereus (atcc 14579).… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GTC
- Type
- protein
- Length
- 515 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UPF0145 protein BC_1816
- UniProt
- Q81EZ2
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | UPF0145 protein BC_1816 | protein | 103 | 28% helix, 38% strand | Q81EZ2 |
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1059 | 0.82 | 0.84 | 81 | empty |
| 2 | 158 | 0.44 | 0.75 | 32 | empty |
| 3 | 73 | 0.42 | 0.80 | 19 | empty |
| 4 | 67 | 0.41 | 0.80 | 16 | empty |
| 5 | 64 | 0.39 | 0.80 | 18 | empty |
Interfaces
5 interfaces between chains.
- B–C · 1515 Ų buried · 27 hydrogen bonds · protein-protein
- B–E · 1493 Ų buried · 24 hydrogen bonds · protein-protein
- A–D · 1445 Ų buried · 22 hydrogen bonds · protein-protein
- D–E · 1398 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 1374 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 2GTC · Crystal structure of the hypthetical protein from Bacillus cereus (ATCC 14579). Northeast… · the same entry in another collection · chain A against A, TM-score 1.00
- Q81EZ2 · AlphaFold monomer V2.0 prediction for UPF0145 protein BC_1816 (Q81EZ2) · a predicted model of the same protein · chain A against A, TM-score 0.90
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 Q81EZ2
- Elsewhere: RCSB PDB 2GTC · PDBe 2GTC · UniProt Q81EZ2
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