MolNFT v1 · #106503 · protein
Crystal structure of a hypothetical protein CTHE_0052 from ruminiclostridium thermocellum atcc 27405
4S1A · Uncharacterized protein: “Crystal structure of a hypothetical protein CTHE_0052 from ruminiclostridium thermocellum atcc 27405”. X-ray diffraction, 1 pocket (best druggability 0.60). MolNFT v1 #106503 on GenesisL1: 3D structure…
- PDB
- 4S1A
- Type
- protein
- Length
- 380 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- A3DBG4
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uncharacterized protein | protein | 190 | 39% helix, 17% strand | A3DBG4 |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- PG4 · Tetraethylene glycol · additive · chains A
- FLC · Citrate anion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 527 | 0.60 | 0.74 | 47 | empty |
Interfaces
1 interface between chains.
- A–B · 969 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 4S1A · Crystal structure of a hypothetical protein Cthe_0052 from Ruminiclostridium thermocellum… · 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 A3DBG4
- Elsewhere: RCSB PDB 4S1A · PDBe 4S1A · UniProt A3DBG4
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