MolNFT v1 · #127146 · protein

Solution structure of the cinaciguat bound human BETA1 H-nox.

5MNW · Guanylate cyclase soluble subunit beta-1: “Solution structure of the cinaciguat bound human BETA1 H-nox.”. Solution nmr, 1 ligand (Z90), 2 pockets (best druggability 0.83). MolNFT v1 #127146 on GenesisL1: 3D structure, binding sites…

PDB: 5MNW
Type: protein
Length: 194 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Guanylate cyclase soluble subunit beta-1
EC: 4.6.1.2
UniProt: Q02153
Ligands: Z90
Pockets: 2 · best druggability 0.83

Structure

solution nmr · 1 distinct chain · 51% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Guanylate cyclase soluble subunit beta-1 (EC 4.6.1.2)	protein	194	51% helix, 13% strand	Q02153

Ligands and binding sites

Z90 · 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl) benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid · ligand · chains A

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

Pockets

2 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	970	0.83	0.83	70	Z90
2	72	0.40	0.79	12	empty

Compared structures

5MNW · Solution structure of the cinaciguat bound human beta1 H-NOX. · the same entry in another collection · chain A against A, TM-score 1.00
Q02153 · AlphaFold monomer V2.0 prediction for guanylate cyclase soluble subunit beta-1 (Q02153) · a predicted model of the same protein · chain A against A, TM-score 0.80

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 Q02153
Elsewhere: RCSB PDB 5MNW · PDBe 5MNW · UniProt Q02153

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