MolNFT v1 · #121194 · protein
Crystal structure of abna (closed conformation), a GH43 extracellular arabinanase from geobacillus stearothermophilus
5HO0: “Crystal structure of abna (closed conformation), a GH43 extracellular arabinanase from geobacillus…”. X-ray diffraction, 1 ligand (CA), 8 pockets (best druggability 0.68). MolNFT v1 #121194 on GenesisL1: 3D structure, binding sites…
- PDB
- 5HO0
- Type
- protein
- Length
- 801 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracellular arabinanase
- UniProt
- B3EYN2
- Ligands
- CA
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Extracellular arabinanase | protein | 801 | 6% helix, 44% strand | B3EYN2 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- EDO · 1,2-ethanediol · additive · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 376 | 0.68 | 0.81 | 30 | EDO |
| 2 | 329 | 0.56 | 0.75 | 48 | TRS |
| 3 | 87 | 0.55 | 0.86 | 27 | empty |
| 4 | 206 | 0.52 | 0.77 | 39 | empty |
| 5 | 179 | 0.44 | 0.73 | 21 | empty |
Compared structures
- 5HO0 · Crystal structure of AbnA (closed conformation), a GH43 extracellular arabinanase from… · 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 B3EYN2
- Elsewhere: RCSB PDB 5HO0 · PDBe 5HO0 · UniProt B3EYN2
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