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MolNFT v1 · #128388 · protein

Structure of cyclophilin a in complex with 3-methylpyridin-2-amine

5NOR · Peptidyl-prolyl cis-trans isomerase a: “Structure of cyclophilin a in complex with 3-methylpyridin-2-amine”. X-ray diffraction, 1 ligand (93Q), 1 pocket (best druggability 0.32). MolNFT v1 #128388 on GenesisL1: 3D structure, binding…

PDB
5NOR
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
93Q
Pockets
1 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptidyl-prolyl cis-trans isomerase a (EC 5.2.1.8)protein16514% helix, 33% strandP62937

Ligands and binding sites

  • 93Q · 3-methylpyridin-2-amine · ligand · 2 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1500.320.781693Q

Compared structures

  • 5NOR · Structure of cyclophilin A in complex with 3-methylpyridin-2-amine · the same entry in another collection · chain A against A, TM-score 1.00

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