MolNFT v1 · #46585 · protein
X-ray crystal structure of protein AGR_C_984 from agrobacterium tumefaciens. northeast structural genomics consortium target ATR120.
2O8S · AGR_C_984P: “X-ray crystal structure of protein AGR_C_984 from agrobacterium tumefaciens. northeast structural genomics…”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.62). MolNFT v1 #46585 on GenesisL1: 3D…
- PDB
- 2O8S
- Type
- protein
- Length
- 460 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AGR_C_984P
- UniProt
- Q7D182
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | AGR_C_984P | protein | 230 | 65% helix, 0% strand | Q7D182 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 537 | 0.62 | 0.75 | 69 | SO4 |
| 2 | 61 | 0.50 | 0.85 | 17 | empty |
| 3 | 66 | 0.49 | 0.84 | 17 | empty |
| 4 | 183 | 0.48 | 0.76 | 33 | empty |
| 5 | 100 | 0.40 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 418 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2O8S · X-ray Crystal Structure of Protein AGR_C_984 from Agrobacterium tumefaciens. Northeast… · 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 Q7D182
- Elsewhere: RCSB PDB 2O8S · PDBe 2O8S · UniProt Q7D182
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