MolNFT v1 · #156656 · protein
Apo structure of aac-iiib
6MB8 · AAC(3)-iiib protein: “Apo structure of aac-iiib”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.64). MolNFT v1 #156656 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6MB8
- Type
- protein
- Length
- 530 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AAC(3)-iiib protein
- UniProt
- Q51405
- Ligands
- CL
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AAC(3)-iiib protein | protein | 265 | 34% helix, 21% strand | Q51405 |
| B | AAC(3)-iiib protein | protein | 265 | 34% helix, 21% strand | Q51405 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.64 | 0.80 | 47 | CL |
| 2 | 299 | 0.64 | 0.81 | 48 | empty |
| 3 | 346 | 0.64 | 0.79 | 56 | empty |
| 4 | 181 | 0.59 | 0.82 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 1290 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6MB8 · Apo structure of AAC-IIIb · 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 Q51405
- Elsewhere: RCSB PDB 6MB8 · PDBe 6MB8 · UniProt Q51405
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