Research workbench
Crystal structure of unliganded aldolase antibody 93F3 Fab
Analyse Crystal structure of unliganded aldolase antibody 93F3 Fab in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1T4K
- Type
- protein
- Length
- 868 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Immunoglobulin IGG1, kappa light chain; Immunoglobulin IGG1, heavy chain
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Immunoglobulin IGG1, kappa light chain | protein | 217 | 4% helix, 54% strand | — |
| B, D | Immunoglobulin IGG1, heavy chain | protein | 217 | 6% helix, 50% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 9 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 980 | 0.70 | 0.75 | 100 | ZN |
| 2 | 172 | 0.59 | 0.82 | 26 | empty |
| 3 | 519 | 0.59 | 0.74 | 62 | empty |
| 4 | 171 | 0.52 | 0.79 | 31 | empty |
| 5 | 163 | 0.51 | 0.78 | 17 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1776 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1776 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 387 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 221 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 68 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1T4K · Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab · 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 1T4K · PDBe 1T4K
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