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Crystal structure of anopheles gambiae D7R4-histamine complex

Analyse Crystal structure of anopheles gambiae D7R4-histamine complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2QEB
Type: protein
Length: 290 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: D7R4 protein
UniProt: Q9BIH3
Ligands: HSM
Pockets: 4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	D7R4 protein	protein	145	66% helix, 1% strand	Q9BIH3

Ligands and binding sites

HSM · Histamine · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

4 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	623	0.71	0.79	58	HSM, GOL
2	102	0.54	0.83	24	HSM
3	58	0.32	0.76	13	empty
4	61	0.32	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 327 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

2QEB · Crystal Structure of Anopheles Gambiae D7R4-Histamine 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 2QEB · PDBe 2QEB · UniProt Q9BIH3

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