MolNFT v1 · #99369 · protein
Structure of murine IGG2A A27D7-Fab in complex with vaccinia antigen A33R at the resolution of 1.6 ångströms
4M1G · Murine IGG2A A27D7 light chain Fab domain: “Structure of murine IGG2A A27D7-Fab in complex with vaccinia antigen A33R at the resolution of 1.6 ångströms”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.81). MolNFT…
- PDB
- 4M1G
- Type
- protein
- Length
- 593 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Murine IGG2A A27D7 light chain Fab domain; Murine IGG2A A27D7 heavy chain Fab domain; A33R
- UniProt
- Q71TT1
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 12% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Murine IGG2A A27D7 light chain Fab domain | protein | 214 | 8% helix, 54% strand | — |
| H | Murine IGG2A A27D7 heavy chain Fab domain | protein | 216 | 8% helix, 53% strand | — |
| A | A33R | protein | 83 | 20% helix, 29% strand | Q71TT1 |
| B | A33R | protein | 80 | 23% helix, 31% strand | Q71TT1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 573 | 0.81 | 0.87 | 74 | empty |
| 2 | 729 | 0.68 | 0.76 | 59 | empty |
| 3 | 106 | 0.51 | 0.82 | 23 | empty |
| 4 | 150 | 0.44 | 0.75 | 31 | empty |
| 5 | 61 | 0.29 | 0.74 | 18 | empty |
Interfaces
6 interfaces between chains.
- L–H · 1952 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 508 Ų buried · 1 hydrogen bond · protein-protein
- H–B · 382 Ų buried · 11 hydrogen bonds · protein-protein
- H–A · 371 Ų buried · 2 hydrogen bonds · protein-protein
- L–B · 309 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4M1G · Structure of murine IgG2a A27D7-Fab in complex with vaccinia antigen A33R at the… · 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
- Every structure of UniProt Q71TT1
- Elsewhere: RCSB PDB 4M1G · PDBe 4M1G · UniProt Q71TT1
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