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MolNFT v1 · #50687 · protein

Solution structure of juvenile hormone binding protein from silkworm in complex with jh III

2RQF · Hemolymph juvenile hormone binding protein: “Solution structure of juvenile hormone binding protein from silkworm in complex with jh III”. Solution nmr, 1 ligand (JH3), 1 pocket (best druggability 0.85). MolNFT v1 #50687 on…

PDB
2RQF
Type
protein
Length
227 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemolymph juvenile hormone binding protein
UniProt
Q9U556
Ligands
JH3
Pockets
1 · best druggability 0.85

Structure

solution nmr · 1 distinct chain · 24% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHemolymph juvenile hormone binding proteinprotein22724% helix, 40% strandQ9U556

Ligands and binding sites

  • JH3 · methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12890.850.9542JH3

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 2RQF · Solution structure of juvenile hormone binding protein from silkworm in complex with JH… · the same entry in another collection · chain A against A, TM-score 1.00

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