MolNFT v1 · #15014 · protein
Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. crystal structures of native Fab and three Fab-mononucleotide complexes
1MRE · IGG2B-kappa JEL103 Fab (light chain): “Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. crystal…”. X-ray diffraction, 2 ligands (GDP, ZN), 6 pockets (best druggability 0.56). MolNFT…
- PDB
- 1MRE
- Type
- protein
- Length
- 426 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IGG2B-kappa JEL103 Fab (light chain); IGG2B-kappa JEL103 Fab (heavy chain)
- Ligands
- GDP, ZN
- Pockets
- 6 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | IGG2B-kappa JEL103 Fab (light chain) | protein | 218 | 4% helix, 51% strand | — |
| H | IGG2B-kappa JEL103 Fab (heavy chain) | protein | 208 | 9% helix, 54% strand | — |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · chains L, H
- ZN · Zinc ion · metal · chains L
- IMD · Imidazole · additive · chains L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.56 | 0.75 | 41 | empty |
| 2 | 136 | 0.47 | 0.78 | 22 | empty |
| 3 | 76 | 0.30 | 0.73 | 20 | empty |
| 4 | 58 | 0.28 | 0.74 | 15 | empty |
| 5 | 56 | 0.26 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- L–H · 1736 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1MRE · Preparation, characterization and crystallization of an antibody Fab fragment that… · the same entry in another collection · chain L against L, 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 1MRE · PDBe 1MRE
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