MolNFT v1 · #148957 · protein
Structure of acmjrl, a mannose binding jacalin related lectin from ananas comosus.
6FLW · Jacalin-like lectin: “Structure of acmjrl, a mannose binding jacalin related lectin from ananas comosus.”. X-ray diffraction, 5 pockets (best druggability 0.75). MolNFT v1 #148957 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6FLW
- Type
- protein
- Length
- 576 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Jacalin-like lectin
- UniProt
- Q53J09
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 69% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Jacalin-like lectin | protein | 144 | 0% helix, 69% strand | Q53J09 |
Ligands and binding sites
- CIT · Citric acid · additive · 2 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 119 | 0.75 | 0.95 | 46 | empty |
| 2 | 71 | 0.35 | 0.77 | 23 | empty |
| 3 | 61 | 0.30 | 0.75 | 20 | empty |
| 4 | 57 | 0.29 | 0.74 | 19 | empty |
| 5 | 50 | 0.28 | 0.75 | 17 | empty |
Interfaces
6 interfaces between chains.
- A–B · 853 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 833 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 739 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 732 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 74 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6FLW · Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus. · 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 Q53J09
- Elsewhere: RCSB PDB 6FLW · PDBe 6FLW · UniProt Q53J09
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