MolNFT v1 · #105522 · protein
FAB HU 15C1
4R7D · Fab hu 15C1 heavy chain: “FAB HU 15C1”. X-ray diffraction, 20 pockets (best druggability 0.68). MolNFT v1 #105522 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4R7D
- Type
- protein
- Length
- 3,346 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab hu 15C1 heavy chain; Fab hu 15C1 light chain
- Pockets
- 20 · best druggability 0.68
Structure
x-ray diffraction · 8 distinct chains · 5% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, I | Fab hu 15C1 heavy chain | protein | 218 | 7% helix, 51% strand | — |
| B, L | Fab hu 15C1 light chain | protein | 211 | 5% helix, 50% strand | — |
| C | Fab hu 15C1 heavy chain | protein | 210 | 6% helix, 50% strand | — |
| D, F, N, P | Fab hu 15C1 light chain | protein | 211 | 6% helix, 52% strand | — |
| E, O | Fab hu 15C1 heavy chain | protein | 209 | 6% helix, 48% strand | — |
| G | Fab hu 15C1 heavy chain | protein | 190 | 2% helix, 48% strand | — |
| H, J | Fab hu 15C1 light chain | protein | 212 | 6% helix, 49% strand | — |
| K, M | Fab hu 15C1 heavy chain | protein | 201 | 4% helix, 51% strand | — |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 853 | 0.68 | 0.74 | 85 | empty |
| 2 | 775 | 0.68 | 0.75 | 62 | empty |
| 3 | 610 | 0.67 | 0.77 | 67 | empty |
| 4 | 632 | 0.64 | 0.75 | 54 | empty |
| 5 | 428 | 0.64 | 0.78 | 53 | empty |
Interfaces
16 interfaces between chains.
- I–J · 1686 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1676 Ų buried · 12 hydrogen bonds · protein-protein
- K–L · 1672 Ų buried · 13 hydrogen bonds · protein-protein
- O–P · 1643 Ų buried · 13 hydrogen bonds · protein-protein
- M–N · 1625 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 disulfide (disulfide).
Compared structures
- 4R7D · Fab Hu 15C1 · 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 4R7D · PDBe 4R7D
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