MolNFT v1 · #90820 · protein

Crystal structure of peld 158-ct from pseudomonas aeruginosa PAO1, in complex with C-di-gmp, form 1

4EUV: “Crystal structure of peld 158-ct from pseudomonas aeruginosa PAO1, in complex with C-di-gmp, form 1”. X-ray diffraction, 1 ligand (C2E), 5 pockets (best druggability 0.56). MolNFT v1 #90820 on GenesisL1: 3D structure, binding sites…

PDB: 4EUV
Type: protein
Length: 286 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peld
UniProt: Q9HZE7
Ligands: C2E
Pockets: 5 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peld	protein	286	42% helix, 21% strand	Q9HZE7

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

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	115	0.56	0.84	13	empty
2	169	0.49	0.77	26	empty
3	163	0.48	0.77	30	empty
4	128	0.42	0.75	21	empty
5	74	0.35	0.76	14	empty

Compared structures

4EUV · Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1, in complex with… · 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 Q9HZE7
Elsewhere: RCSB PDB 4EUV · PDBe 4EUV · UniProt Q9HZE7

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