MolNFT v1 · #37873 · protein
Crystal structure of a catalytic Fab having esterase-like activity
2GFB · IGG2A CNJ206 Fab (light chain): “Crystal structure of a catalytic Fab having esterase-like activity”. X-ray diffraction, 20 pockets (best druggability 0.68). MolNFT v1 #37873 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2GFB
- Type
- protein
- Length
- 3,464 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IGG2A CNJ206 Fab (light chain); IGG2A CNJ206 Fab (heavy chain)
- Pockets
- 20 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K, M, O | IGG2A CNJ206 Fab (light chain) | protein | 214 | 6% helix, 50% strand | — |
| B, D, F, H, J, L, N, P | IGG2A CNJ206 Fab (heavy chain) | protein | 219 | 7% helix, 50% strand | — |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 981 | 0.68 | 0.74 | 86 | empty |
| 2 | 812 | 0.66 | 0.74 | 67 | empty |
| 3 | 592 | 0.66 | 0.76 | 74 | empty |
| 4 | 795 | 0.66 | 0.74 | 66 | empty |
| 5 | 744 | 0.65 | 0.74 | 70 | empty |
Interfaces
28 interfaces between chains.
- O–P · 1904 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1893 Ų buried · 18 hydrogen bonds · protein-protein
- I–J · 1892 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1888 Ų buried · 20 hydrogen bonds · protein-protein
- K–L · 1888 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 disulfide (disulfide).
Compared structures
- 2GFB · Crystal structure of a catalytic Fab having esterase-like activity · 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 2GFB · PDBe 2GFB
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