MolNFT v1 · #138825 · protein

Crystal structure of baes cocrystallized with 2 mm indole

5WVM · Maltose-binding periplasmic PROTEIN,TWO-component system…: “Crystal structure of baes cocrystallized with 2 mm indole”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.73). MolNFT v1 #138825 on GenesisL1: 3D…

PDB: 5WVM
Type: protein
Length: 492 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Maltose-binding periplasmic PROTEIN,TWO-component system sensor kinase
UniProt: P0AEX9, A0A0N1UYP9
Ligands: SO4
Pockets: 5 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Maltose-binding periplasmic PROTEIN,TWO-component system sensor kinase	protein	492	42% helix, 19% strand	P0AEX9, A0A0N1UYP9

Ligands and binding sites

SO4 · Sulfate ion · ion · 4 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	581	0.73	0.80	62	empty
2	139	0.45	0.76	26	SO4
3	86	0.40	0.77	19	empty
4	94	0.38	0.76	21	empty
5	73	0.31	0.74	17	SO4

Compared structures

5WVM · Crystal structure of baeS cocrystallized with 2 mM indole · the same entry in another collection · chain A against A, 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 P0AEX9
Every structure of UniProt A0A0N1UYP9
Elsewhere: RCSB PDB 5WVM · PDBe 5WVM · UniProt P0AEX9 · UniProt A0A0N1UYP9

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