MolNFT v1 · #103345 · protein
Crystal structure of escherchia COLI uncharacterized protein yjcs
4PDX · Putative ALKYL/ARYL-sulfatase yjcs: “Crystal structure of escherchia COLI uncharacterized protein yjcs”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.85). MolNFT v1 #103345 on GenesisL1: 3D structure, binding…
- PDB
- 4PDX
- Type
- protein
- Length
- 1,241 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ALKYL/ARYL-sulfatase yjcs
- EC
- 3.1.6.-
- UniProt
- P32717
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative ALKYL/ARYL-sulfatase yjcs (EC 3.1.6.-) | protein | 622 | 42% helix, 16% strand | P32717 |
| B | Putative ALKYL/ARYL-sulfatase yjcs (EC 3.1.6.-) | protein | 619 | 42% helix, 15% strand | P32717 |
Ligands and binding sites
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 | 476 | 0.85 | 0.92 | 43 | empty |
| 2 | 1069 | 0.84 | 0.85 | 94 | SO4 |
| 3 | 591 | 0.71 | 0.79 | 49 | SO4 |
| 4 | 412 | 0.65 | 0.79 | 35 | GOL |
| 5 | 441 | 0.65 | 0.78 | 34 | SO4, GOL |
Interfaces
1 interface between chains.
- A–B · 5320 Ų buried · 88 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
- 4PDX · Crystal structure of Escherchia coli uncharacterized protein YjcS · the same entry in another collection · chain A against A, TM-score 1.00
- P32717 · AlphaFold monomer V2.0 prediction for putative ALKYL/ARYL-sulfatase yjcs (P32717) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P32717
- Elsewhere: RCSB PDB 4PDX · PDBe 4PDX · UniProt P32717
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