MolNFT v1 · #32635 · protein
Structure of endoglucanase 12A (CEL12A) from rhodothermus marinus in complex with cellopentaose (5 minute soak)
2BWC: “Structure of endoglucanase 12A (CEL12A) from rhodothermus marinus in complex with cellopentaose (5 minute…”. X-ray diffraction, 3 ligands (BGC, GLC, SO4), 2 pockets (best druggability 0.46). MolNFT v1 #32635 on GenesisL1: 3D…
- 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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