MolNFT v1 · #134998 · protein
Model structure of the oxidized PADSBA1 and 3-[(2-methylbenzyl) sulfanyl]-4H-1,2,4-triazol-4-amine complex
5TLQ · THIOL:DISULFIDE interchange protein dsba: “Model structure of the oxidized PADSBA1 and 3-[(2-methylbenzyl) sulfanyl]-4H-1,2,4-triazol-4-amine complex”. Solution nmr, 1 ligand (1YO), 1 pocket (best druggability 0.66). MolNFT v1…
- PDB
- 5TLQ
- Type
- protein
- Length
- 190 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- THIOL:DISULFIDE interchange protein dsba
- UniProt
- P0C2B2
- Ligands
- 1YO
- Pockets
- 1 · best druggability 0.66
Structure
solution nmr · 1 distinct chain · 45% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | THIOL:DISULFIDE interchange protein dsba | protein | 190 | 45% helix, 13% strand | P0C2B2 |
Ligands and binding sites
- 1YO · 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine · ligand · chains A
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 | 374 | 0.66 | 0.79 | 45 | 1YO |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5TLQ · Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol… · the same entry in another collection · chain A against A, TM-score 1.00
- P0C2B2 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsba (P0C2B2) · a predicted model of the same protein · chain A 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 P0C2B2
- Elsewhere: RCSB PDB 5TLQ · PDBe 5TLQ · UniProt P0C2B2
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