4Q5H: Shigella Effector Kinase OspG

Shigella Effector Kinase OspG bound to AMPPNP and E2-Ub UbcH7-Ub Conjugate. Determined by X-ray diffraction at 2.0 Å resolution. Released 2 Jul 2014.

Method: X-ray diffraction
Resolution: 2.0 Å
Organisms: Shigella sonnei, Saccharomyces cerevisiae, Homo sapiens
Chains: 3
Atoms: 3,546
Mol. weight: 47.34 kDa
Ligands: ANP, MG
Released: 2 Jul 2014

Explore 4Q5H in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4Q5H contains 19 α-helices and 26 β-strands across 3 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, 10 β-strands

Element	Residues	Length	Sheet
β-strand	29-35	7	1
β-strand	39-44	6	1
β-strand	47-55	9	1
α-helix	62-80	19
β-strand	85-90	6	1
β-strand	93-99	7	1
α-helix	100-102	3
β-strand	104-105	2	2
α-helix	106-108	3
α-helix	111-113	3
α-helix	118-131	14
β-strand	136	1	3
α-helix	141-143	3
β-strand	144-147	4	2
β-strand	152-155	4	2
β-strand	160	1	3
α-helix	162-167	6
α-helix	170-191	22

Chain B: 4 helices, 7 β-strands

Element	Residues	Length	Sheet
β-strand	2-6	5	4
β-strand	12-16	5	4
β-strand	22	1	5
α-helix	23-34	12
α-helix	38-40	3
β-strand	41-45	5	4
β-strand	48-49	2	4
α-helix	50-51	2
β-strand	55	1	5
α-helix	57-59	3
β-strand	66-71	6	4

Chain C: 7 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	1-17	17
β-strand	22-28	7	6
β-strand	31-39	9	6
β-strand	50	1	7
β-strand	51-56	6	6
β-strand	67-70	4	6
β-strand	79	1	8
β-strand	84	1	6
β-strand	85	1	8
α-helix	88-90	3
α-helix	101-113	13
α-helix	123-131	9
α-helix	133-147	15
α-helix	148	1
β-strand	149	1	7
α-helix	150-152	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein kinase OspG	A	protein	174	Shigella sonnei	Q3YTH2 (AlphaFold model)
Polyubiquitin	B	protein	76	Saccharomyces cerevisiae	P0CG63 (AlphaFold model)
Ubiquitin-conjugating enzyme E2 L3	C	protein	156	Homo sapiens	P68036 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4Q5H_1 Protein kinase OspG (chains A)
SNAEPILGKLIGQGSTAEIFEDVNDSSALYKKYDLIGNQYNEILEMAWQESELFNAFYGD
EASVVIQYGGDVYLRMLRVPGTPLSDIDTADIPDNIESLYLQLICKLNELSIIHYDLNTG
NMLYDKESESLFPIDFRNIYAEYYAATKKDKEIIDRRLQMRTNDFYSLLNRKYL

Sequence of entity 2 (B), FASTA

>4Q5H_2 Polyubiquitin (chains B)
MQIFVKTLTGKTITLEVESSDTIDNVKSKIQDKEGIPPDQQRLIFAGRQLEDGRTLSDYN
IQKESTLHLVLRLRGC

Sequence of entity 3 (C), FASTA

>4Q5H_3 Ubiquitin-conjugating enzyme E2 L3 (chains C)
GHMAASRRLMKELEEIRKSGMKNFRNIQVDEANLLTWQGLIVPDNPPYDKGAFRIEINFP
AEYPFKPPKITFKTKIYHPNIDEKGQVCLPVISAENWKPATKTDQVIQSLIALVNDPQPE
HPLRADLAEEYSKDRKKFSKNAEEFTKKYGEKRPVD

Ligands and cofactors

ID	Name	Formula	Copies
ANP	Phosphoaminophosphonic acid-adenylate ester	C10 H17 N6 O12 P3	1
MG	Magnesium ion	Mg	1

Primary citation

Structural Basis for the Inhibition of Host Protein Ubiquitination by Shigella Effector Kinase OspG. Grishin, A.M., Condos, T.E., Barber, K.R. et al. Structure (2014) 22:878-888. DOI 10.1016/j.str.2014.04.010 · PubMed

Other PDB entries of the same protein (UniProt Q3YTH2 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4Q5E 1.87 Å, Shigella Effector Kinase OspG bound to E2-Ub UbcH7-Ub Conjugate

Browse structure collections

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