MolNFT v1 · #150145 · protein
Structure of ZGENGAGH5_4 in complex with a cellotriose
6GL0 · Endoglucanase, family GH5: “Structure of ZGENGAGH5_4 in complex with a cellotriose”. X-ray diffraction, 3 ligands (BGC, GLC, MG), 8 pockets (best druggability 0.69). MolNFT v1 #150145 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6GL0
- Type
- protein
- Length
- 993 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase, family GH5
- EC
- 3.2.1.4
- UniProt
- G0L8Z3
- Ligands
- BGC, GLC, MG
- Pockets
- 8 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Endoglucanase, family GH5 (EC 3.2.1.4) | protein | 331 | 43% helix, 12% strand | G0L8Z3 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 6 copies · chains A, B, C
- GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 512 | 0.69 | 0.79 | 61 | empty |
| 2 | 297 | 0.56 | 0.76 | 33 | empty |
| 3 | 295 | 0.55 | 0.76 | 34 | GLC, BGC |
| 4 | 375 | 0.55 | 0.74 | 52 | empty |
| 5 | 286 | 0.54 | 0.75 | 33 | GLC, BGC |
Interfaces
3 interfaces between chains.
- A–B · 332 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 159 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 79 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6GL0 · Structure of ZgEngAGH5_4 in complex with a cellotriose · 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 G0L8Z3
- Elsewhere: RCSB PDB 6GL0 · PDBe 6GL0 · UniProt G0L8Z3
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