MolNFT v1 · #96729 · protein
Crystal structure of D78N mutant apo form of clavibacter michiganensis expansin
4JS7 · Cellulose binding protein: “Crystal structure of D78N mutant apo form of clavibacter michiganensis expansin”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.66). MolNFT v1 #96729 on GenesisL1: 3D structure…
- PDB
- 4JS7
- Type
- protein
- Length
- 202 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulose binding protein
- EC
- 3.2.1.4
- UniProt
- A5CLK3
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellulose binding protein (EC 3.2.1.4) | protein | 202 | 8% helix, 42% strand | A5CLK3 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 181 | 0.66 | 0.85 | 44 | empty |
| 2 | 102 | 0.38 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4JS7 · Crystal structure of D78N mutant apo form of clavibacter michiganensis expansin · 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 A5CLK3
- Elsewhere: RCSB PDB 4JS7 · PDBe 4JS7 · UniProt A5CLK3
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