MolNFT v1 · #119401 · protein

The cytoplasmic domain of essc

5FV0 · Esx secretion system protein eccc: “The cytoplasmic domain of essc”. X-ray diffraction, 2 ligands (ONA, ATP), 15 pockets (best druggability 0.75). MolNFT v1 #119401 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5FV0
Type: protein
Length: 966 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Esx secretion system protein eccc
UniProt: A4IKE7
Ligands: ONA, ATP
Pockets: 15 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Esx secretion system protein eccc	protein	508	37% helix, 19% strand	A4IKE7
B	Esx secretion system protein eccc	protein	458	34% helix, 22% strand	A4IKE7

Ligands and binding sites

ONA · 3'-O-[2-(methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate) · ligand · chains A
ATP · Adenosine-5'-triphosphate · ligand · chains B
1PE · Pentaethylene glycol · additive · chains A

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

Pockets

15 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	870	0.75	0.79	96	empty
2	287	0.67	0.83	39	empty
3	258	0.51	0.75	32	empty
4	238	0.51	0.75	27	empty
5	77	0.46	0.82	17	empty

Interfaces

1 interface between chains.

A–B · 1391 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

5FV0 · The cytoplasmic domain of EssC · the same entry in another collection · chain A against A, TM-score 1.00
A4IKE7 · AlphaFold monomer V2.0 prediction for esx secretion system protein eccc (A4IKE7) · a predicted model of the same protein · chain B against A, TM-score 0.88

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 A4IKE7
Elsewhere: RCSB PDB 5FV0 · PDBe 5FV0 · UniProt A4IKE7

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