MolNFT v1 · #99877 · protein

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

4MGV · 70 kda peptidylprolyl isomerase, putative: “Crystal structure of FK506 binding domain of plasmodium vivax FKBP35 in complex with inhibitor D5”. X-ray diffraction, 1 ligand (D5I), 1 pocket (best druggability 0.34). MolNFT v1 #99877…

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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