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Structure of endoglucanase 12A (CEL12A) from rhodothermus marinus in complex with cellopentaose (5 minute soak)
Analyse Structure of endoglucanase 12A (CEL12A) from rhodothermus marinus in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BWC
- Type
- protein
- Length
- 452 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase
- EC
- 3.2.1.4
- UniProt
- O33897
- Ligands
- BGC, GLC, SO4
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endoglucanase (EC 3.2.1.4) | protein | 226 | 7% helix, 54% strand | O33897 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 5 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.46 | 0.76 | 23 | BGC, GOL, GLC |
| 2 | 139 | 0.45 | 0.76 | 25 | GLC, BGC, GOL |
Interfaces
1 interface between chains.
- A–B · 151 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2BWC · Structure of Endoglucanase 12A (Cel12A) from Rhodothermus marinus in complex with… · 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 O33897
- Elsewhere: RCSB PDB 2BWC · PDBe 2BWC · UniProt O33897
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