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Crystal structure of FK506 binding domain of plasmodium vivax FKBP35 in complex with inhibitor D5

Analyse Crystal structure of FK506 binding domain of plasmodium vivax FKBP35 in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4MGV
Type: protein
Length: 122 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 70 kda peptidylprolyl isomerase, putative
EC: 5.2.1.8
UniProt: A5K8X6
Ligands: D5I
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	70 kda peptidylprolyl isomerase, putative (EC 5.2.1.8)	protein	122	15% helix, 39% strand	A5K8X6

Ligands and binding sites

D5I · N'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	55	0.34	0.76	13	D5I

Compared structures

4MGV · Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 In complex with… · 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 A5K8X6
Elsewhere: RCSB PDB 4MGV · PDBe 4MGV · UniProt A5K8X6

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