Research workbench
Crystal structure of the soluble domain of time protein from mycobacterium tuberculosis
Analyse Crystal structure of the soluble domain of time protein from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7CU8
- Type
- protein
- Length
- 1,321 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tube-forming protein in mycobacterial envelope (time)
- UniProt
- I6XI06
- Ligands
- SO4
- Pockets
- 14 · best druggability 0.59
Structure
x-ray diffraction · 3 distinct chains · 27% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, F, G | Tube-forming protein in mycobacterial envelope (time) | protein | 188 | 27% helix, 36% strand | I6XI06 |
| D | Tube-forming protein in mycobacterial envelope (time) | protein | 191 | 27% helix, 37% strand | I6XI06 |
| E | Tube-forming protein in mycobacterial envelope (time) | protein | 190 | 27% helix, 38% strand | I6XI06 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 11 copies · chains A, B, C, D, E, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.59 | 0.80 | 24 | empty |
| 2 | 205 | 0.59 | 0.80 | 24 | empty |
| 3 | 218 | 0.59 | 0.80 | 27 | empty |
| 4 | 224 | 0.59 | 0.79 | 24 | empty |
| 5 | 204 | 0.58 | 0.80 | 22 | empty |
Interfaces
7 interfaces between chains.
- D–G · 532 Ų buried · 6 hydrogen bonds · protein-protein
- E–G · 523 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 519 Ų buried · 9 hydrogen bonds · protein-protein
- A–F · 516 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 515 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide (disulfide).
Compared structures
- 7CU8 · Crystal structure of the soluble domain of TiME protein from Mycobacterium tuberculosis · 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 I6XI06
- Elsewhere: RCSB PDB 7CU8 · PDBe 7CU8 · UniProt I6XI06
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