MolNFT v1 · #100581 · protein

Structure of cyclophilin a in complex with saccharin.

4N1O · Peptidyl-prolyl cis-trans isomerase a: “Structure of cyclophilin a in complex with saccharin.”. X-ray diffraction, 1 ligand (LSA), 1 pocket (best druggability 0.31). MolNFT v1 #100581 on GenesisL1: 3D structure, binding sites and…

PDB: 4N1O
Type: protein
Length: 165 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peptidyl-prolyl cis-trans isomerase a
EC: 5.2.1.8
UniProt: P62937
Ligands: LSA
Pockets: 1 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peptidyl-prolyl cis-trans isomerase a (EC 5.2.1.8)	protein	165	14% helix, 32% strand	P62937

Ligands and binding sites

LSA · 1,2-benzisothiazol-3(2H)-one 1,1-dioxide · ligand · 5 copies · 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	61	0.31	0.76	20	LSA

Compared structures

4N1O · Structure of Cyclophilin A in complex with Saccharin. · 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 P62937
Elsewhere: RCSB PDB 4N1O · PDBe 4N1O · UniProt P62937

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