Research workbench
Structure of murine IGG2A A20G2-Fab in complex with vaccinia antigen A33R at the resolution of 2.9 ångströms
Analyse Structure of murine IGG2A A20G2-Fab in complex with vaccinia antigen A33R at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LU5
- Type
- protein
- Length
- 1,030 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- A33R; Murine IGG2A A20G2 heavy chain Fab domain; Murine IGG2A A20G2 light chain Fab domain
- UniProt
- Q71TT1
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 5 distinct chains · 10% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | A33R | protein | 87 | 24% helix, 30% strand | Q71TT1 |
| B | A33R | protein | 86 | 23% helix, 27% strand | Q71TT1 |
| H | Murine IGG2A A20G2 heavy chain Fab domain | protein | 209 | 7% helix, 50% strand | — |
| L, M | Murine IGG2A A20G2 light chain Fab domain | protein | 219 | 5% helix, 51% strand | — |
| I | Murine IGG2A A20G2 heavy chain Fab domain | protein | 210 | 6% helix, 53% strand | — |
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1012 | 0.75 | 0.78 | 101 | empty |
| 2 | 481 | 0.60 | 0.75 | 57 | empty |
| 3 | 450 | 0.58 | 0.74 | 47 | empty |
| 4 | 117 | 0.38 | 0.74 | 26 | empty |
| 5 | 110 | 0.38 | 0.75 | 22 | empty |
Interfaces
8 interfaces between chains.
- I–M · 1905 Ų buried · 18 hydrogen bonds · protein-protein
- H–L · 1894 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 591 Ų buried · 4 hydrogen bonds · protein-protein
- A–I · 516 Ų buried · 9 hydrogen bonds · protein-protein
- A–M · 497 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 13 disulfide (disulfide).
Compared structures
- 4LU5 · Structure of murine IgG2a A20G2-Fab in complex with vaccinia antigen A33R at the… · 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
- Every structure of UniProt Q71TT1
- Elsewhere: RCSB PDB 4LU5 · PDBe 4LU5 · UniProt Q71TT1
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