MolNFT v1 · #35095 · protein
The crystal structure of XC1258 from xanthomonas campestris: a cn- hydrolase superfamily protein with an arsenic adduct in the active site
2E11: “The crystal structure of XC1258 from xanthomonas campestris: a cn- hydrolase superfamily protein with an…”. X-ray diffraction, 12 pockets (best druggability 0.79). MolNFT v1 #35095 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2E11
- Type
- protein
- Length
- 1,060 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrolase
- EC
- 3.-.-.-
- UniProt
- Q8P8M3
- Pockets
- 12 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hydrolase (EC 3.-.-.-) | protein | 265 | 27% helix, 34% strand | Q8P8M3 |
Ligands and binding sites
- CAC · Cacodylate ion · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 981 | 0.79 | 0.81 | 51 | empty |
| 2 | 378 | 0.59 | 0.76 | 29 | empty |
| 3 | 364 | 0.55 | 0.74 | 29 | empty |
| 4 | 59 | 0.50 | 0.85 | 20 | CAC |
| 5 | 166 | 0.49 | 0.77 | 24 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1738 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 1698 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 617 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 589 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2E11 · The Crystal Structure of XC1258 from Xanthomonas campestris: A CN-hydrolase Superfamily… · 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 Q8P8M3
- Elsewhere: RCSB PDB 2E11 · PDBe 2E11 · UniProt Q8P8M3
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