MolNFT v1 · #50641 · protein

Solution structure of the thiolation-thioesterase di-domain of enterobactin synthetase component F

2ROQ: “Solution structure of the thiolation-thioesterase di-domain of enterobactin synthetase component F”. Solution nmr, 9 pockets (best druggability 0.84). MolNFT v1 #50641 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2ROQ
Type: protein
Length: 343 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enterobactin synthetase component F
EC: 2.7.7.-
UniProt: P11454
Pockets: 9 · best druggability 0.84

Structure

solution nmr · 1 distinct chain · 38% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enterobactin synthetase component F (EC 2.7.7.-)	protein	343	38% helix, 10% strand	P11454

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	307	0.84	0.94	45	empty
2	346	0.76	0.87	57	empty
3	113	0.73	0.93	24	empty
4	273	0.57	0.77	24	empty
5	123	0.52	0.81	25	empty

Compared structures

2ROQ · Solution Structure of the thiolation-thioesterase di-domain of enterobactin synthetase… · the same entry in another collection · chain A against A, TM-score 1.00
P11454 · AlphaFold monomer V2.0 prediction for enterobactin synthase component F (P11454) · a predicted model of the same protein · chain A against A, TM-score 0.67

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 P11454
Elsewhere: RCSB PDB 2ROQ · PDBe 2ROQ · UniProt P11454

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