MolNFT v1 · #151198 · protein
Crystal structure of ALPHA1-antichymotrypsin variant newbg-I in the uncleaved S-conformation
6HGE · Alpha-1-antichymotrypsin: “Crystal structure of ALPHA1-antichymotrypsin variant newbg-I in the uncleaved S-conformation”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #151198 on GenesisL1: 3D structure, binding…
- PDB
- 6HGE
- Type
- protein
- Length
- 1,425 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-1-antichymotrypsin
- UniProt
- P01011
- Pockets
- 20 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-1-antichymotrypsin | protein | 363 | 31% helix, 32% strand | P01011 |
| B | Alpha-1-antichymotrypsin | protein | 364 | 32% helix, 32% strand | P01011 |
| C | Alpha-1-antichymotrypsin | protein | 350 | 33% helix, 36% strand | P01011 |
| D | Alpha-1-antichymotrypsin | protein | 348 | 33% helix, 34% strand | P01011 |
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 923 | 0.73 | 0.77 | 68 | empty |
| 2 | 496 | 0.63 | 0.76 | 55 | empty |
| 3 | 273 | 0.58 | 0.78 | 34 | empty |
| 4 | 140 | 0.53 | 0.81 | 18 | empty |
| 5 | 94 | 0.51 | 0.82 | 21 | empty |
Interfaces
4 interfaces between chains.
- A–B · 832 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 431 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 214 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 58 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 45 modified (methylation).
Compared structures
- 6HGE · Crystal structure of Alpha1-antichymotrypsin variant NewBG-I in the uncleaved… · the same entry in another collection · chain D against D, TM-score 1.00
- P01011 · AlphaFold monomer V2.0 prediction for alpha-1-antichymotrypsin (P01011) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P01011
- Elsewhere: RCSB PDB 6HGE · PDBe 6HGE · UniProt P01011
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.