Research workbench
Crystal structure of protein of unknown function (DUF861) with a rmlc- like cupin fold (17741406) from agrobacterium tumefaciens str. C58 (dupont) at 1.64 a resolution
Analyse Crystal structure of protein of unknown function (DUF861) with a rmlc- like… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ES4
- Type
- protein
- Length
- 232 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein DUF861 with a rmlc-like cupin fold
- UniProt
- A9CEL1
- Ligands
- CL
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uncharacterized protein DUF861 with a rmlc-like cupin fold | protein | 116 | 0% helix, 53% strand | A9CEL1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.62 | 0.82 | 27 | empty |
| 2 | 138 | 0.52 | 0.80 | 20 | EDO |
| 3 | 59 | 0.30 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1453 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3ES4 · Crystal structure of Protein of unknown function (DUF861) with a RmlC-like cupin fold… · 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 A9CEL1
- Elsewhere: RCSB PDB 3ES4 · PDBe 3ES4 · UniProt A9CEL1
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