Research workbench
Cellvibrio japonicus MAN26A E121A and E320G double mutant in complex with mannobiose
Analyse Cellvibrio japonicus MAN26A E121A and E320G double mutant in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WHM
- Type
- protein
- Length
- 377 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-1,4-beta mannanase, MAN26A
- EC
- 3.2.1.78
- UniProt
- B3PBK3
- Ligands
- MAN, BMA, ZN, NA
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-1,4-beta mannanase, MAN26A (EC 3.2.1.78) | protein | 377 | 36% helix, 15% strand | B3PBK3 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · chains A
- BMA · beta-D-mannopyranose · sugar · chains A
- ZN · Zinc ion · metal · chains A
- NA · Sodium ion · metal · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.69 | 0.95 | 21 | empty |
| 2 | 384 | 0.60 | 0.76 | 44 | MAN, BMA |
| 3 | 56 | 0.24 | 0.72 | 16 | empty |
Compared structures
- 2WHM · Cellvibrio japonicus Man26A E121A and E320G double mutant in complex with mannobiose · 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 B3PBK3
- Elsewhere: RCSB PDB 2WHM · PDBe 2WHM · UniProt B3PBK3
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