MolNFT v1 · #122561 · protein

Structure of the apo pcp-E didomain of the gramicidin S synthetase a

5ISW · Gramicidin S synthase 1: “Structure of the apo pcp-E didomain of the gramicidin S synthetase a”. X-ray diffraction, 8 pockets (best druggability 0.85). MolNFT v1 #122561 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5ISW
Type: protein
Length: 539 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gramicidin S synthase 1
EC: 5.1.1.11
UniProt: P0C062
Pockets: 8 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gramicidin S synthase 1 (EC 5.1.1.11)	protein	539	39% helix, 19% strand	P0C062

Ligands and binding sites

GOL · Glycerol · additive · chains A

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

Pockets

8 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	591	0.85	0.90	91	GOL
2	52	0.65	0.95	15	empty
3	181	0.61	0.83	27	empty
4	151	0.56	0.82	24	empty
5	176	0.54	0.79	30	empty

Compared structures

5ISW · Structure of the apo PCP-E didomain of the gramicidin S synthetase A · the same entry in another collection · chain A against A, TM-score 1.00
P0C062 · AlphaFold monomer V2.0 prediction for gramicidin S synthase 1 (P0C062) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P0C062
Elsewhere: RCSB PDB 5ISW · PDBe 5ISW · UniProt P0C062

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.