Research workbench
Crystal structure of Fab CR9114
Analyse Crystal structure of Fab CR9114 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FQH
- Type
- protein
- Length
- 870 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody CR9114 heavy chain; Antibody CR9114 light chain
- Ligands
- NO3
- Pockets
- 9 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Antibody CR9114 heavy chain | protein | 222 | 8% helix, 52% strand | — |
| L, B | Antibody CR9114 light chain | protein | 212 | 8% helix, 51% strand | — |
| A | Antibody CR9114 heavy chain | protein | 224 | 9% helix, 50% strand | — |
Ligands and binding sites
- NO3 · Nitrate ion · ion · 2 copies · chains H, L, B
- EDO · 1,2-ethanediol · additive · 7 copies · chains H, L, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 589 | 0.63 | 0.75 | 62 | EDO |
| 2 | 379 | 0.54 | 0.73 | 48 | empty |
| 3 | 193 | 0.51 | 0.77 | 32 | empty |
| 4 | 122 | 0.46 | 0.78 | 26 | empty |
| 5 | 126 | 0.42 | 0.76 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1659 Ų buried · 14 hydrogen bonds · protein-protein
- H–L · 1620 Ų buried · 13 hydrogen bonds · protein-protein
- L–B · 280 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4FQH · Crystal Structure of Fab CR9114 · the same entry in another collection · chain H against H, 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 4FQH · PDBe 4FQH
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