MolNFT v1 · #100621 · protein
Crystal structure of the alpha-L-arabinofuranosidase PAABF62A from podospora anserina in complex with cellotriose
4N2Z · GH62 arabinofuranosidase: “Crystal structure of the alpha-L-arabinofuranosidase PAABF62A from podospora anserina in complex with…”. X-ray diffraction, 3 ligands (BGC, GLC, CA), 1 pocket (best druggability 0.51). MolNFT v1 #100621 on…
- PDB
- 4N2Z
- Type
- protein
- Length
- 318 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GH62 arabinofuranosidase
- EC
- 3.2.1.55
- UniProt
- E2GHW5
- Ligands
- BGC, GLC, CA
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GH62 arabinofuranosidase (EC 3.2.1.55) | protein | 318 | 8% helix, 43% strand | E2GHW5 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- 1PE · Pentaethylene glycol · 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
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.51 | 0.80 | 20 | GLC, BGC, TRS |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4N2Z · Crystal Structure of the alpha-L-arabinofuranosidase PaAbf62A from Podospora anserina in… · 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 E2GHW5
- Elsewhere: RCSB PDB 4N2Z · PDBe 4N2Z · UniProt E2GHW5
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