6GS6: Cyclophilin A single mutant D66A

Cyclophilin A single mutant D66A in complex with an inhibitor. Determined by X-ray diffraction at 1.16 Å resolution. Released 26 Jun 2019.

Method: X-ray diffraction
Resolution: 1.16 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,505
Mol. weight: 18.32 kDa
Ligands: EA4
Released: 26 Jun 2019

Explore 6GS6 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6GS6 contains 4 α-helices and 12 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 4 helices, 12 β-strands

Element	Residues	Length	Sheet
α-helix	2-4	3
β-strand	5-12	8	1
β-strand	15-24	10	1
α-helix	30-41	12
β-strand	52-57	6	1
β-strand	61-64	4	1
β-strand	77-78	2	2
β-strand	80	1	2
β-strand	83	1	3
β-strand	97-100	4	1
β-strand	108	1	3
β-strand	112-115	4	1
α-helix	120-122	3
β-strand	128-134	7	1
α-helix	136-143	8
β-strand	156-163	8	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Peptidyl-prolyl cis-trans isomerase A	A	protein	165	Homo sapiens	P62937 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6GS6_1 Peptidyl-prolyl cis-trans isomerase A (chains A)
MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGF
MCQGGAFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTE
WLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE

Ligands and cofactors

ID	Name	Formula	Copies
EA4	ethyl N-[(4-aminobenzyl)carbamoyl]glycinate	C12 H17 N3 O3	1

Water and common crystallization additives (DMS) are not listed.

Primary citation

Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A. Juarez-Jimenez, J., Gupta, A.A., Karunanithy, G. et al. Chem Sci (2020). DOI 10.1039/C9SC04696H

Other PDB entries of the same protein (UniProt P62937 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9E3S 1.08 Å, Tricomplex of RMC-9945, KRAS G12N, and CypA
9BG4 1.14 Å, Tri-complex of Compound-2, KRAS G12V, and CypA
4N1M 1.15 Å, Structure of Cyclophilin A in complex with GlyPro.
5F66 1.15 Å, High-resolution isotropic multiconformer synchrotron model of CypA at 273 K
9GHY 1.15 Å, Cyclophilin A in complex with Sanglifehrin A analogue (2R,3S,7S,10S,E)-10-(3-aminopropyl)…
6GJL 1.16 Å, Cyclophilin A complexed with tri-vector ligand 10.
2X25 1.2 Å, Free acetyl-CypA orthorhombic form
4YUO 1.2 Å, High-resolution multiconformer synchrotron model of CypA at 273 K
7UXM 1.2 Å, Structure of PPIA in complex with FP29092, a Helicon Polypeptide
8TBG 1.2 Å, Tricomplex of RMC-7977, HRAS WT, and CypA
9BFV 1.2 Å, Tri-complex of Compound-23, KRAS G12C, and CypA
9BFW 1.2 Å, Tri-complex of Compound-4, KRAS G12C, and CypA

Browse structure collections

About this viewer

MolViewer shows 6GS6 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.