MolNFT v1 · #187717 · protein
Crystal structure of 7H2.2 Fab in complex with SAS1B C-terminal region
7ST8 · 7H2.2 Fab heavy chain: “Crystal structure of 7H2.2 Fab in complex with SAS1B C-terminal region”. X-ray diffraction, 2 pockets (best druggability 0.65). MolNFT v1 #187717 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7ST8
- Type
- protein
- Length
- 455 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 7H2.2 Fab heavy chain; 7H2.2 Fab light chain; Astacin-like metalloendopeptidase
- EC
- 3.4.-.-
- UniProt
- Q6HA08
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | 7H2.2 Fab heavy chain | protein | 223 | 7% helix, 49% strand | — |
| L | 7H2.2 Fab light chain | protein | 217 | 6% helix, 52% strand | — |
| S | Astacin-like metalloendopeptidase (EC 3.4.-.-) | protein | 15 | 53% helix, 0% strand | Q6HA08 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 681 | 0.65 | 0.75 | 65 | empty |
| 2 | 364 | 0.61 | 0.77 | 50 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1892 Ų buried · 19 hydrogen bonds · protein-protein
- H–S · 396 Ų buried · 11 hydrogen bonds · protein-protein
- L–S · 336 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7ST8 · Crystal structure of 7H2.2 Fab in complex with SAS1B C-terminal region · the same entry in another collection · chain H against H, TM-score 1.00
- Q6HA08 · AlphaFold monomer V2.0 prediction for astacin-like metalloendopeptidase (Q6HA08) · a predicted model of the same protein · chain S against A, TM-score 0.53
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 Q6HA08
- Elsewhere: RCSB PDB 7ST8 · PDBe 7ST8 · UniProt Q6HA08
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