MolNFT v1 · #118110 · protein

Crystal structure of the first two domains of the initiation module of lgra

5ES6 · Linear gramicidin synthase subunit a: “Crystal structure of the first two domains of the initiation module of lgra”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #118110 on GenesisL1: 3D structure, binding sites…

PDB: 5ES6
Type: protein
Length: 583 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Linear gramicidin synthase subunit a
UniProt: Q70LM7
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Linear gramicidin synthase subunit a	protein	583	31% helix, 25% strand	Q70LM7

Ligands and binding sites

FMT · Formic acid · additive · 3 copies · chains A

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	359	0.71	0.83	43	FMT
2	374	0.60	0.76	49	empty
3	96	0.42	0.78	21	empty
4	83	0.40	0.78	16	empty
5	129	0.36	0.73	26	empty

Compared structures

5ES6 · Crystal structure of the first two domains of the initiation module of LgrA · the same entry in another collection · chain A against A, TM-score 1.00
Q70LM7 · AlphaFold monomer V2.0 prediction for linear gramicidin synthase subunit a (Q70LM7) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q70LM7
Elsewhere: RCSB PDB 5ES6 · PDBe 5ES6 · UniProt Q70LM7

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