Research workbench
Crystal structure of TTHA1842 from thermus thermophilus HB8
Analyse Crystal structure of TTHA1842 from thermus thermophilus HB8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ELC
- Type
- protein
- Length
- 1,316 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anthranilate phosphoribosyltransferase
- EC
- 2.4.2.18
- UniProt
- Q5SH88
- Ligands
- NA
- Pockets
- 14 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 329 | 52% helix, 12% strand | Q5SH88 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains B
- GOL · Glycerol · additive · 12 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1197 | 0.82 | 0.83 | 138 | GOL |
| 2 | 605 | 0.73 | 0.81 | 57 | empty |
| 3 | 604 | 0.71 | 0.79 | 60 | GOL |
| 4 | 96 | 0.66 | 0.91 | 24 | empty |
| 5 | 139 | 0.62 | 0.86 | 27 | empty |
Interfaces
5 interfaces between chains.
- B–C · 753 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 753 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 702 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 499 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 401 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2ELC · Crystal structure of TTHA1842 from Thermus thermophilus HB8 · the same entry in another collection · chain A against A, TM-score 1.00
- Q5SH88 · AlphaFold monomer V2.0 prediction for anthranilate phosphoribosyltransferase (Q5SH88) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q5SH88
- Elsewhere: RCSB PDB 2ELC · PDBe 2ELC · UniProt Q5SH88
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