MolNFT v1 · #101117 · protein
Crystal structure of 2G12 IgG dimer
4NHG · 2G12 IgG dimer heavy chain: “Crystal structure of 2G12 IgG dimer”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #101117 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4NHG
- Type
- protein
- Length
- 3,795 residues
- Chains
- 18
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2G12 IgG dimer heavy chain; 2G12 IgG dimer light chain; Hepatitis B virus receptor…
- UniProt
- Q6PYX1
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 5% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, E, I, H, M | 2G12 IgG dimer heavy chain | protein | 215 | 6% helix, 49% strand | — |
| B, C, F, G, K, L | 2G12 IgG dimer light chain | protein | 211 | 1% helix, 49% strand | — |
| J, X, O | Hepatitis B virus receptor binding protein | protein | 207 | 5% helix, 44% strand | Q6PYX1 |
| N, Y, P | Hepatitis B virus receptor binding protein | protein | 206 | 10% helix, 38% strand | Q6PYX1 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1175 | 0.78 | 0.80 | 127 | empty |
| 2 | 827 | 0.73 | 0.78 | 88 | empty |
| 3 | 755 | 0.72 | 0.78 | 85 | empty |
| 4 | 793 | 0.71 | 0.77 | 80 | empty |
| 5 | 506 | 0.68 | 0.79 | 58 | empty |
Interfaces
35 interfaces between chains.
- J–N · 1184 Ų buried · 8 hydrogen bonds · protein-protein
- O–P · 1184 Ų buried · 8 hydrogen bonds · protein-protein
- X–Y · 1179 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 1058 Ų buried · 8 hydrogen bonds · protein-protein
- H–K · 1050 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide, 2 isopeptide (disulfide, isopeptide).
Compared structures
- 4NHG · Crystal Structure of 2G12 IgG Dimer · 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 Q6PYX1
- Elsewhere: RCSB PDB 4NHG · PDBe 4NHG · UniProt Q6PYX1
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