MolNFT v1 · #166575 · protein

Structure of PE5-PPE4-ESPG3 complex from the type VII (esx-3) secretion system, space group P212121

6UUJ · Pe family immunomodulator PE5: “Structure of PE5-PPE4-ESPG3 complex from the type VII (esx-3) secretion system, space group P212121”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #166575 on GenesisL1: 3D…

PDB: 6UUJ
Type: protein
Length: 1,977 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pe family immunomodulator PE5; Ppe family protein PPE4; Esx-3 secretion-associated…
UniProt: L7N695, P9WI43, B2HNX0
Pockets: 20 · best druggability 0.79

Structure

x-ray diffraction · 8 distinct chains · 63% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pe family immunomodulator PE5	protein	73	74% helix, 0% strand	L7N695
B	Ppe family protein PPE4	protein	164	72% helix, 1% strand	P9WI43
C, F, I, L	Esx-3 secretion-associated protein ESPG3	protein	259	29% helix, 27% strand	B2HNX0
D, J	Pe family immunomodulator PE5	protein	71	76% helix, 0% strand	L7N695
E	Ppe family protein PPE4	protein	163	73% helix, 1% strand	P9WI43
G	Pe family immunomodulator PE5	protein	74	73% helix, 0% strand	L7N695
H	Ppe family protein PPE4	protein	162	73% helix, 1% strand	P9WI43
K	Ppe family protein PPE4	protein	163	74% helix, 1% strand	P9WI43

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	739	0.79	0.82	54	empty
2	570	0.78	0.84	58	empty
3	558	0.78	0.84	64	empty
4	789	0.78	0.82	75	empty
5	526	0.77	0.84	49	empty

Interfaces

27 interfaces between chains.

J–K · 2011 Å² buried · 12 hydrogen bonds · protein-protein
G–H · 1978 Å² buried · 11 hydrogen bonds · protein-protein
D–E · 1951 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 1936 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 1591 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

6UUJ · Structure of PE5-PPE4-EspG3 complex from the type VII (ESX-3) secretion system, space… · the same entry in another collection · chain L against L, 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 L7N695
Every structure of UniProt P9WI43
Every structure of UniProt B2HNX0
Elsewhere: RCSB PDB 6UUJ · PDBe 6UUJ · UniProt L7N695 · UniProt P9WI43 · UniProt B2HNX0

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