MolNFT v1 · #52999 · protein
Cellvibrio japonicus MAN26A E121A and E320G double mutant in complex with mannobiose
2WHM · Endo-1,4-beta mannanase, MAN26A: “Cellvibrio japonicus MAN26A E121A and E320G double mutant in complex with mannobiose”. X-ray diffraction, 4 ligands (MAN, BMA, ZN), 3 pockets (best druggability 0.69). MolNFT v1 #52999 on GenesisL1…
- 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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