MolNFT v1 · #93866 · protein

Crystal structure of the type VI effector-immunity complex TAE4-TAI4 from enterobacter cloacae

4HFK · Putative cytoplasmic protein: “Crystal structure of the type VI effector-immunity complex TAE4-TAI4 from enterobacter cloacae”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.61). MolNFT v1 #93866 on GenesisL1: 3D…

PDB: 4HFK
Type: protein
Length: 515 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative cytoplasmic protein; Putative uncharacterized protein
UniProt: D5C6F6, D5C6F7
Ligands: SO4
Pockets: 5 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 51% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Putative cytoplasmic protein	protein	160	33% helix, 23% strand	D5C6F6
B	Putative uncharacterized protein	protein	98	66% helix, 1% strand	D5C6F7
D	Putative uncharacterized protein	protein	97	67% helix, 0% strand	D5C6F7

Ligands and binding sites

SO4 · Sulfate ion · ion · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	109	0.61	0.87	17	empty
2	139	0.44	0.76	25	empty
3	122	0.41	0.76	24	empty
4	131	0.41	0.75	18	empty
5	130	0.41	0.75	23	empty

Interfaces

5 interfaces between chains.

B–D · 1550 Å² buried · 17 hydrogen bonds · protein-protein
C–D · 706 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 696 Å² buried · 17 hydrogen bonds · protein-protein
B–C · 314 Å² buried · 5 hydrogen bonds · protein-protein
A–D · 309 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4HFK · Crystal structure of the type VI effector-immunity complex Tae4-Tai4 from Enterobacter… · 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 D5C6F6
Every structure of UniProt D5C6F7
Elsewhere: RCSB PDB 4HFK · PDBe 4HFK · UniProt D5C6F6 · UniProt D5C6F7

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