MolNFT v1 · #111345 · protein

Eaec T6SS tssa-cterminus

4YO5: “Eaec T6SS tssa-cterminus”. X-ray diffraction, 14 pockets (best druggability 0.70). MolNFT v1 #111345 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4YO5
Type: protein
Length: 1,572 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tssa
UniProt: B7LFT5
Pockets: 14 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L	Tssa	protein	131	74% helix, 0% strand	B7LFT5

Pockets

14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1021	0.70	0.75	96	empty
2	1162	0.70	0.75	114	empty
3	985	0.70	0.75	101	empty
4	935	0.69	0.74	79	empty
5	687	0.65	0.74	67	empty

Interfaces

24 interfaces between chains.

A–C · 625 Å² buried · 6 hydrogen bonds · protein-protein
I–J · 622 Å² buried · 5 hydrogen bonds · protein-protein
F–H · 615 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 612 Å² buried · 7 hydrogen bonds · protein-protein
E–G · 609 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 36 modified (engineered).

Compared structures

4YO5 · EAEC T6SS TssA-Cterminus · the same entry in another collection · chain I against I, 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 B7LFT5
Elsewhere: RCSB PDB 4YO5 · PDBe 4YO5 · UniProt B7LFT5

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