Research workbench
Structure of the wall teichoic acid polymerase tagf, H444N variant
Analyse Structure of the wall teichoic acid polymerase tagf, H444N variant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3L7J
- Type
- protein
- Length
- 1,644 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Teichoic acid biosynthesis protein F
- UniProt
- Q5HLM5
- Ligands
- CL, SO4
- Pockets
- 20 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Teichoic acid biosynthesis protein F | protein | 410 | 43% helix, 15% strand | Q5HLM5 |
| B | Teichoic acid biosynthesis protein F | protein | 412 | 43% helix, 14% strand | Q5HLM5 |
| C | Teichoic acid biosynthesis protein F | protein | 411 | 42% helix, 15% strand | Q5HLM5 |
| D | Teichoic acid biosynthesis protein F | protein | 411 | 42% helix, 15% strand | Q5HLM5 |
Ligands and binding sites
- CL · Chloride ion · ion · 32 copies · chains A, C, B, D
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 712 | 0.69 | 0.76 | 49 | SO4, CL |
| 2 | 674 | 0.68 | 0.76 | 59 | SO4, CL |
| 3 | 612 | 0.67 | 0.77 | 50 | SO4, CL |
| 4 | 594 | 0.67 | 0.77 | 53 | SO4, CL |
| 5 | 96 | 0.64 | 0.89 | 22 | empty |
Interfaces
6 interfaces between chains.
- C–D · 560 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 478 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 473 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 369 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 363 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3L7J · Structure of the Wall Teichoic Acid Polymerase TagF, H444N variant · the same entry in another collection · chain D against D, TM-score 1.00
- Q5HLM5 · AlphaFold monomer V2.0 prediction for teichoic acid POLY(GLYCEROL phosphate) polymerase… · a predicted model of the same protein · chain D against A, TM-score 0.94
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 Q5HLM5
- Elsewhere: RCSB PDB 3L7J · PDBe 3L7J · UniProt Q5HLM5
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