Research workbench
Crystal structure of the caldicellulosiruptor lactoaceticus GH74 (CLGH74A) enzyme in complex with llg xyloglucan
Analyse Crystal structure of the caldicellulosiruptor lactoaceticus GH74 (CLGH74A)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6P2M
- Type
- protein
- Length
- 696 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type 3A cellulose-binding domain protein
- UniProt
- G2PXX7
- Ligands
- BGC, XYS, GAL
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Type 3A cellulose-binding domain protein | protein | 696 | 3% helix, 41% strand | G2PXX7 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 3 copies · chains A
- XYS · alpha-D-xylopyranose · sugar · 2 copies · chains A
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A
- GOL · Glycerol · additive · 4 copies · chains A
- PE3 · 3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol · additive · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 528 | 0.79 | 0.85 | 42 | TRS |
| 2 | 87 | 0.75 | 0.97 | 25 | GOL |
| 3 | 341 | 0.60 | 0.77 | 57 | BGC |
| 4 | 74 | 0.44 | 0.81 | 17 | GOL |
| 5 | 148 | 0.44 | 0.75 | 26 | empty |
Compared structures
- 6P2M · Crystal structure of the Caldicellulosiruptor lactoaceticus GH74 (ClGH74a) enzyme 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 G2PXX7
- Elsewhere: RCSB PDB 6P2M · PDBe 6P2M · UniProt G2PXX7
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