MolNFT v1 · #63542 · protein
Mature metal chelatase catalytic antibody with hapten
3FCT · Protein (metal chelatase catalytic antibody): “Mature metal chelatase catalytic antibody with hapten”. X-ray diffraction, 5 ligands (MMP, NA, CD), 13 pockets (best druggability 0.64). MolNFT v1 #63542 on GenesisL1: 3D structure…
- PDB
- 3FCT
- Type
- protein
- Length
- 858 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (metal chelatase catalytic antibody)
- Ligands
- MMP, NA, CD, CA, MG
- Pockets
- 13 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Protein (metal chelatase catalytic antibody) | protein | 213 | 6% helix, 53% strand | — |
| B, D | Protein (metal chelatase catalytic antibody) | protein | 216 | 4% helix, 50% strand | — |
Ligands and binding sites
- MMP · N-methylmesoporphyrin · ligand · 2 copies · chains A, B, C, D
- NA · Sodium ion · metal · 7 copies · chains A, B, C, D
- CD · Cadmium ion · metal · chains A
- CA · Calcium ion · metal · chains A
- MG · Magnesium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 649 | 0.64 | 0.74 | 72 | empty |
| 2 | 656 | 0.64 | 0.74 | 73 | empty |
| 3 | 64 | 0.53 | 0.87 | 20 | MG |
| 4 | 79 | 0.42 | 0.80 | 16 | empty |
| 5 | 82 | 0.42 | 0.79 | 22 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1726 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 1636 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3FCT · Mature metal chelatase catalytic antibody with hapten · 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
- Elsewhere: RCSB PDB 3FCT · PDBe 3FCT
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.