MolNFT v1 · #91818 · protein

1.8 a crystal structure of the fimx eal domain in complex with C-digmp

4FOK: “1.8 a crystal structure of the fimx eal domain in complex with C-digmp”. X-ray diffraction, 1 ligand (C2E), 1 pocket (best druggability 0.51). MolNFT v1 #91818 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4FOK
Type: protein
Length: 264 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fimx
UniProt: Q8PJX9
Ligands: C2E
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fimx	protein	264	49% helix, 20% strand	Q8PJX9

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
GOL · Glycerol · additive · 8 copies · 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	209	0.51	0.77	27	C2E, GOL

Compared structures

4FOK · 1.8 A Crystal structure of the FimX EAL domain in complex with c-diGMP · 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 Q8PJX9
Elsewhere: RCSB PDB 4FOK · PDBe 4FOK · UniProt Q8PJX9

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