MolNFT v1 · #152495 · protein
Crystal structure of the type VI effector-immunity complex (TAE4-TAI4) from agrobacterium tumefaciens
6IJF: “Crystal structure of the type VI effector-immunity complex (TAE4-TAI4) from agrobacterium tumefaciens”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.85). MolNFT v1 #152495 on GenesisL1: 3D structure, binding…
- PDB
- 6IJF
- Type
- protein
- Length
- 526 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TAI4; TAE4
- UniProt
- A0A083ZID3, A0A083ZID4
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TAI4 | protein | 101 | 61% helix, 3% strand | A0A083ZID3 |
| B | TAI4 | protein | 99 | 63% helix, 5% strand | A0A083ZID3 |
| C, D | TAE4 | protein | 163 | 28% helix, 21% strand | A0A083ZID4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 426 | 0.85 | 0.92 | 51 | empty |
| 2 | 409 | 0.84 | 0.92 | 40 | empty |
| 3 | 60 | 0.35 | 0.78 | 17 | empty |
| 4 | 66 | 0.34 | 0.77 | 13 | empty |
| 5 | 55 | 0.34 | 0.78 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1133 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1017 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 982 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 385 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 374 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6IJF · Crystal structure of the type VI effector-immunity complex (Tae4-Tai4) from Agrobacterium… · 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 A0A083ZID3
- Every structure of UniProt A0A083ZID4
- Elsewhere: RCSB PDB 6IJF · PDBe 6IJF · UniProt A0A083ZID3 · UniProt A0A083ZID4
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