Research workbench
Crystal structure of a putative pii-like signaling protein (TTHA0516) from thermus thermophilus HB8
Analyse Crystal structure of a putative pii-like signaling protein (TTHA0516) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CZ4
- Type
- protein
- Length
- 285 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein TTHA0516
- Ligands
- CL
- Pockets
- 6 · best druggability 0.49
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein TTHA0516 | protein | 100 | 32% helix, 36% strand | — |
| B | Hypothetical protein TTHA0516 | protein | 93 | 34% helix, 39% strand | — |
| C | Hypothetical protein TTHA0516 | protein | 92 | 35% helix, 39% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B, C
- ACT · Acetate ion · additive · 4 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 174 | 0.49 | 0.77 | 29 | empty |
| 2 | 107 | 0.49 | 0.81 | 28 | ACT |
| 3 | 117 | 0.45 | 0.78 | 23 | ACT |
| 4 | 127 | 0.44 | 0.77 | 24 | ACT |
| 5 | 110 | 0.39 | 0.75 | 30 | CL |
Interfaces
3 interfaces between chains.
- A–B · 1059 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 946 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 940 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 2CZ4 · Crystal structure of a putative PII-like signaling protein (TTHA0516) from Thermus… · 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
- Elsewhere: RCSB PDB 2CZ4 · PDBe 2CZ4
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