Research workbench
Crystal structure of caulobacter crescentus thic with FE4S4 cluster at remote site (holo form)
Analyse Crystal structure of caulobacter crescentus thic with FE4S4 cluster at remote… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4S2A
- Type
- protein
- Length
- 594 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphomethylpyrimidine synthase
- EC
- 4.1.99.17
- UniProt
- Q9A6Q5
- Ligands
- SF4, PO4
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphomethylpyrimidine synthase (EC 4.1.99.17) | protein | 594 | 41% helix, 11% strand | Q9A6Q5 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.67 | 0.79 | 43 | PO4 |
| 2 | 173 | 0.66 | 0.86 | 31 | empty |
| 3 | 80 | 0.53 | 0.85 | 20 | empty |
| 4 | 111 | 0.43 | 0.77 | 17 | empty |
| 5 | 80 | 0.31 | 0.73 | 18 | empty |
Compared structures
- 4S2A · Crystal structure of Caulobacter crescentus ThiC with Fe4S4 cluster at remote site (holo… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9A6Q5 · AlphaFold monomer V2.0 prediction for phosphomethylpyrimidine synthase (Q9A6Q5) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 Q9A6Q5
- Elsewhere: RCSB PDB 4S2A · PDBe 4S2A · UniProt Q9A6Q5
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