MolNFT v1 · #143369 · protein
Crystal structure of FAB311 complex
6AXK · FAB311 heavy chain: “Crystal structure of FAB311 complex”. X-ray diffraction, 1 ligand (ACE), 4 pockets (best druggability 0.61). MolNFT v1 #143369 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6AXK
- Type
- protein
- Length
- 449 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAB311 heavy chain; FAB311 light chain; ACE-asn-pro-asn-ala-asn-pro-asn-ala-asn-pro-asn
- Ligands
- ACE
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FAB311 heavy chain | protein | 223 | 8% helix, 52% strand | — |
| B | FAB311 light chain | protein | 215 | 7% helix, 48% strand | — |
| E | ACE-asn-pro-asn-ala-asn-pro-asn-ala-asn-pro-asn | protein | 11 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, E
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 3 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 571 | 0.61 | 0.73 | 63 | MES, 1PE |
| 2 | 131 | 0.44 | 0.77 | 26 | empty |
| 3 | 107 | 0.44 | 0.78 | 19 | empty |
| 4 | 118 | 0.41 | 0.76 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1920 Ų buried · 27 hydrogen bonds · protein-protein
- A–E · 539 Ų buried · 10 hydrogen bonds · protein-protein
- B–E · 158 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide, 2 modified, 1 covalent (disulfide, cyclization, covalent ligand).
Compared structures
- 6AXK · Crystal structure of Fab311 complex · 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 6AXK · PDBe 6AXK
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.