MolNFT v1 · #142570 · protein
Crystal structure of endo-arabinanase abn-ts D147N mutant in complex with arabinohexaose
6A8I · Endo-alpha-(1->5)-L-arabinanase: “Crystal structure of endo-arabinanase abn-ts D147N mutant in complex with arabinohexaose”. X-ray diffraction, 2 ligands (AHR, CA), 6 pockets (best druggability 0.59). MolNFT v1 #142570 on GenesisL1…
- PDB
- 6A8I
- Type
- protein
- Length
- 636 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-alpha-(1->5)-L-arabinanase
- EC
- 3.2.1.99
- UniProt
- Q93HT9
- Ligands
- AHR, CA
- Pockets
- 6 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endo-alpha-(1->5)-L-arabinanase (EC 3.2.1.99) | protein | 318 | 4% helix, 47% strand | Q93HT9 |
Ligands and binding sites
- AHR · alpha-L-arabinofuranose · sugar · 12 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.59 | 0.82 | 30 | AHR |
| 2 | 257 | 0.59 | 0.79 | 31 | empty |
| 3 | 162 | 0.59 | 0.82 | 27 | AHR |
| 4 | 284 | 0.54 | 0.76 | 30 | empty |
| 5 | 179 | 0.50 | 0.77 | 27 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6A8I · Crystal structure of endo-arabinanase ABN-TS D147N mutant in complex with arabinohexaose · the same entry in another collection · chain A against A, TM-score 1.00
- Q93HT9 · AlphaFold monomer V2.0 prediction for intracellular endo- alpha-(1->5)-L-arabinanase… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q93HT9
- Elsewhere: RCSB PDB 6A8I · PDBe 6A8I · UniProt Q93HT9
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