MolNFT v1 · #49128 · protein

Crystal structure of anopheles gambiae D7R4-norepinephrine complex

2QEO · D7R4 protein: “Crystal structure of anopheles gambiae D7R4-norepinephrine complex”. X-ray diffraction, 1 ligand (LNR), 3 pockets (best druggability 0.68). MolNFT v1 #49128 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2QEO
Type: protein
Length: 288 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: D7R4 protein
UniProt: Q9BIH3
Ligands: LNR
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	D7R4 protein	protein	144	64% helix, 1% strand	Q9BIH3

Ligands and binding sites

LNR · L-norepinephrine · ligand · 2 copies · chains A, B

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

Pockets

3 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	560	0.68	0.78	46	empty
2	58	0.32	0.76	13	empty
3	55	0.27	0.73	15	empty

Interfaces

1 interface between chains.

A–B · 334 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

2QEO · Crystal Structure of Anopheles gambiae D7R4-norepinephrine complex · 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 Q9BIH3
Elsewhere: RCSB PDB 2QEO · PDBe 2QEO · UniProt Q9BIH3

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