MolNFT v1 · #142695 · protein
Crystal structure of epec effector nleb in complex with fadd death domain
6ACI · T3SS secreted effector nleb homolog: “Crystal structure of epec effector nleb in complex with fadd death domain”. X-ray diffraction, 2 ligands (UDP, MN), 3 pockets (best druggability 0.73). MolNFT v1 #142695 on GenesisL1: 3D…
- PDB
- 6ACI
- Type
- protein
- Length
- 391 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- T3SS secreted effector nleb homolog; Fas-associated death domain protein
- UniProt
- B7UI21, Q13158
- Ligands
- UDP, MN
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | T3SS secreted effector nleb homolog | protein | 304 | 41% helix, 19% strand | B7UI21 |
| H | Fas-associated death domain protein | protein | 87 | 78% helix, 0% strand | Q13158 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 473 | 0.73 | 0.82 | 51 | UDP, MN |
| 2 | 219 | 0.60 | 0.80 | 38 | empty |
| 3 | 180 | 0.48 | 0.77 | 30 | empty |
Interfaces
1 interface between chains.
- A–H · 1302 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 6ACI · Crystal structure of EPEC effector NleB in complex with FADD death domain · the same entry in another collection · chain A against A, TM-score 1.00
- B7UI21 · AlphaFold monomer V2.0 prediction for protein-arginine N-acetylglucosaminyltransferase… · a predicted model of the same protein · chain A against A, TM-score 1.00
- Q13158 · AlphaFold monomer V2.0 prediction for fas-associated death domain protein (Q13158) · a predicted model of the same protein · chain H against A, TM-score 0.93
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 B7UI21
- Every structure of UniProt Q13158
- Elsewhere: RCSB PDB 6ACI · PDBe 6ACI · UniProt B7UI21 · UniProt Q13158
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