8QH6: IpgC

Name: PDB 8QH6: Crystal structure of IpgC in complex with a follow-up compound based on J20
Published: 2023-12-27
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: chaperone

Crystal structure of IpgC in complex with a follow-up compound based on J20. Determined by X-ray diffraction at 1.8 Å resolution. Released 27 Dec 2023.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Shigella flexneri
Chains: 2
Atoms: 2,546
Mol. weight: 32.92 kDa
Ligands: MG, V9U
Released: 27 Dec 2023

Explore 8QH6 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8QH6 contains 17 α-helices and 0 β-strands across 2 chains. 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: 8 helices, 0 β-strands

Element	Residues	Length
α-helix	26-28	3
α-helix	33-48	16
α-helix	52-65	14
α-helix	70-82	13
α-helix	86-100	15
α-helix	105-116	12
α-helix	120-133	14
α-helix	137-149	13

Chain B: 9 helices, 0 β-strands

Element	Residues	Length
α-helix	10-20	11
α-helix	26-28	3
α-helix	33-48	16
α-helix	52-65	14
α-helix	70-82	13
α-helix	86-100	15
α-helix	105-116	12
α-helix	120-133	14
α-helix	137-149	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Chaperone protein IpgC	A, B	protein	143	Shigella flexneri	P0A2U4 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>8QH6_1 Chaperone protein IpgC (chains A, B)
GSISTAVIDAINSGATLKDINAIPDDMMDDIYSYAYDFYNKGRIEEAEVFFRFLCIYDFY
NVDYIMGLAAIYQIKEQFQQAADLYAVAFALGKNDYTPVFHTGQCQLRLKAPLKAKECFE
LVIQHSNDEKLKIKAQSYLDAIQ

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	2
V9U	3-azanyl-6-chloranyl-isoindol-1-one	C8 H5 Cl N2 O	1

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

Primary citation

Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC. Gardonyi, M., Hasewinkel, C., Wallbaum, J. et al. ACS Omega (2023) 8:46051-46065. DOI 10.1021/acsomega.3c07058 · PubMed

Other PDB entries of the same protein (UniProt P0A2U4 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7P42 1.5 Å, Crystal structure of IpgC in complex with a follow-up compound based on J2
7PE0 1.5 Å, Crystal structure of IpgC in complex with J52
7PEF 1.54 Å, Crystal structure of IpgC in complex with DMSO
7NRG 1.57 Å, Crystal structure of a shortened IpgC variant in complex with…
6SCB 1.58 Å, Crystal structure of a shortened IpgC variant with two bound Magnesium and two bound…
7O6S 1.58 Å, Crystal structure of a shortened IpgC variant in complex with…
7B1U 1.59 Å, Crystal structure of a shortened IpgC variant in complex with…
7NL8 1.59 Å, Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
7OWV 1.59 Å, Crystal structure of IpgC in complex with a follow-up compound based on J20
7AXY 1.63 Å, Crystal structure of a shortened IpgC variant in complex with…
7AZV 1.68 Å, Crystal structure of a shortened IpgC variant in complex with…
7O04 1.74 Å, Crystal structure of a shortened IpgC variant in complex with…

Browse structure collections

About this viewer

MolViewer shows 8QH6 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.