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Crystal structure of PDE5A in complex with inhibitor L1

Analyse Crystal structure of PDE5A in complex with inhibitor L1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7FAQ
Type: protein
Length: 287 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cgmp-specific 3',5'-cyclic phosphodiesterase
EC: 3.1.4.35
UniProt: O76074
Ligands: 2OI, ZN, MG, SO4
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cgmp-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35)	protein	287	70% helix, 0% strand	O76074

Ligands and binding sites

2OI · 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one · ligand · chains A
ZN · Zinc ion · metal · chains A
MG · Magnesium ion · metal · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	267	0.64	0.81	28	MG, SO4, 2OI
2	115	0.54	0.83	30	empty
3	67	0.39	0.79	22	empty

Compared structures

7FAQ · Crystal structure of PDE5A in complex with inhibitor L1 · 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 O76074
Elsewhere: RCSB PDB 7FAQ · PDBe 7FAQ · UniProt O76074

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