MolNFT v1 · #91891 · protein

Structure of AGAMOBP1 bound to 6-methyl-5-hepten-2-one

4FQT · Anopheles gambiae odorant binding protein 1: “Structure of AGAMOBP1 bound to 6-methyl-5-hepten-2-one”. X-ray diffraction, 1 ligand (0VT), 3 pockets (best druggability 0.87). MolNFT v1 #91891 on GenesisL1: 3D structure, binding sites…

PDB: 4FQT
Type: protein
Length: 250 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Anopheles gambiae odorant binding protein 1
UniProt: Q8I8T0
Ligands: 0VT
Pockets: 3 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Anopheles gambiae odorant binding protein 1	protein	125	58% helix, 2% strand	Q8I8T0

Ligands and binding sites

0VT · 6-methylhept-5-en-2-one · ligand · 2 copies · chains A, B
PG4 · Tetraethylene glycol · additive · 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	578	0.87	0.92	64	0VT, PG4
2	152	0.48	0.77	31	empty
3	54	0.27	0.74	14	empty

Interfaces

1 interface between chains.

A–B · 699 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

4FQT · Structure of AgamOBP1 Bound to 6-methyl-5-hepten-2-one · the same entry in another collection · chain B against B, 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 Q8I8T0
Elsewhere: RCSB PDB 4FQT · PDBe 4FQT · UniProt Q8I8T0

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