MolNFT v1 · #139458 · protein

Crystal structure of the pas-ggdef-eal domain of PA0861 from pseudomonas aeruginosa in complex with cyclic di-gmp

5XGE · Uncharacterized protein PA0861: “Crystal structure of the pas-ggdef-eal domain of PA0861 from pseudomonas aeruginosa in complex with cyclic…”. X-ray diffraction, 1 ligand (C2E), 1 pocket (best druggability 0.73). MolNFT v1 #139458…

PDB: 5XGE
Type: protein
Length: 548 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein PA0861
UniProt: Q9I580
Ligands: C2E
Pockets: 1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein PA0861	protein	548	42% helix, 24% strand	Q9I580

Ligands and binding sites

C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	879	0.73	0.77	84	C2E

Compared structures

5XGE · Crystal structure of the PAS-GGDEF-EAL domain of PA0861 from Pseudomonas aeruginosa in… · 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 Q9I580
Elsewhere: RCSB PDB 5XGE · PDBe 5XGE · UniProt Q9I580

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