MolNFT v1 · #57884 · protein
Crystal structure of cel-IV
3ALS · Lectin cel-IV, C-type: “Crystal structure of cel-IV”. X-ray diffraction, 1 ligand (CA), 10 pockets (best druggability 0.75). MolNFT v1 #57884 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ALS
- Type
- protein
- Length
- 624 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lectin cel-IV, C-type
- UniProt
- Q7M4F9
- Ligands
- CA
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Lectin cel-IV, C-type | protein | 156 | 16% helix, 37% strand | Q7M4F9 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.75 | 0.92 | 25 | empty |
| 2 | 165 | 0.75 | 0.92 | 24 | empty |
| 3 | 305 | 0.65 | 0.81 | 29 | empty |
| 4 | 290 | 0.63 | 0.80 | 28 | empty |
| 5 | 79 | 0.42 | 0.79 | 23 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1184 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 1181 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 771 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 768 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 99 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 3ALS · Crystal structure of CEL-IV · 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 Q7M4F9
- Elsewhere: RCSB PDB 3ALS · PDBe 3ALS · UniProt Q7M4F9
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