MolNFT v1 · #55373 · protein
Structure of a paenibacillus polymyxa xyloglucanase from gh family 44 with xyloglucan
2YIH · CEL44C: “Structure of a paenibacillus polymyxa xyloglucanase from gh family 44 with xyloglucan”. X-ray diffraction, 5 ligands (BGC, XYS, CA), 2 pockets (best druggability 0.62). MolNFT v1 #55373 on GenesisL1: 3D structure, binding…
- PDB
- 2YIH
- Type
- protein
- Length
- 511 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CEL44C
- EC
- 3.2.1.4, 3.2.1.151
- UniProt
- Q1A2D0
- Ligands
- BGC, XYS, CA, SO4, CL
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CEL44C (EC 3.2.1.4, 3.2.1.151) | protein | 511 | 31% helix, 26% strand | Q1A2D0 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 5 copies · chains A
- XYS · alpha-D-xylopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 9 copies · 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 | 329 | 0.62 | 0.78 | 46 | BGC, EDO |
| 2 | 157 | 0.50 | 0.78 | 20 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2YIH · Structure of a Paenibacillus polymyxa Xyloglucanase from GH family 44 with Xyloglucan · 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 Q1A2D0
- Elsewhere: RCSB PDB 2YIH · PDBe 2YIH · UniProt Q1A2D0
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