MolNFT v1 · #142569 · protein
Crystal structure of endo-arabinanase abn-ts D27A mutant in complex with arabinotriose
6A8H · Endo-alpha-(1->5)-L-arabinanase: “Crystal structure of endo-arabinanase abn-ts D27A mutant in complex with arabinotriose”. X-ray diffraction, 3 ligands (AHR, CA, MG), 2 pockets (best druggability 0.57). MolNFT v1 #142569 on…
- PDB
- 6A8H
- Type
- protein
- Length
- 315 residues
- Chains
- 1
- 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, MG
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-alpha-(1->5)-L-arabinanase (EC 3.2.1.99) | protein | 315 | 3% helix, 47% strand | Q93HT9 |
Ligands and binding sites
- AHR · alpha-L-arabinofuranose · sugar · 6 copies · chains A
- CA · Calcium ion · metal · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 177 | 0.57 | 0.81 | 32 | AHR |
| 2 | 86 | 0.35 | 0.75 | 22 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6A8H · Crystal structure of endo-arabinanase ABN-TS D27A mutant in complex with arabinotriose · 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 0.99
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 6A8H · PDBe 6A8H · UniProt Q93HT9
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