MolNFT v1 · #175551 · protein
Crystal structure of the soluble domain of time protein from mycobacterium tuberculosis
7CU8 · Tube-forming protein in mycobacterial envelope (time): “Crystal structure of the soluble domain of time protein from mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (SO4), 14 pockets (best druggability 0.59). MolNFT v1…
- 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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