Research workbench

G586S mutant nnosoxy

Analyse G586S mutant nnosoxy in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3FC5
Type: protein
Length: 818 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nitric oxide synthase, brain
EC: 1.14.13.39
UniProt: P29476
Ligands: HEM, H4B, ARG, ZN
Pockets: 12 · best druggability 0.89

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nitric oxide synthase, brain (EC 1.14.13.39)	protein	407	40% helix, 15% strand	P29476
B	Nitric oxide synthase, brain (EC 1.14.13.39)	protein	411	39% helix, 14% strand	P29476

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
H4B · 5,6,7,8-tetrahydrobiopterin · ligand · 2 copies · chains A, B
ARG · Arginine · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · chains A, B

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

Pockets

12 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	969	0.89	0.90	141	HEM, ARG, H4B
2	61	0.62	0.92	17	H4B
3	52	0.44	0.84	13	empty
4	103	0.41	0.77	22	empty
5	111	0.41	0.76	22	empty

Interfaces

1 interface between chains.

A–B · 2779 Å² buried · 49 hydrogen bonds · protein-protein

Compared structures

3FC5 · G586S mutant nNOSoxy · the same entry in another collection · chain B against B, TM-score 1.00
P29476 · AlphaFold monomer V2.0 prediction for nitric oxide synthase, brain (P29476) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P29476
Elsewhere: RCSB PDB 3FC5 · PDBe 3FC5 · UniProt P29476

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.