6RWD: SjGST

Name: PDB 6RWD: Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom resolution
Published: 2019-06-19
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: transferase

Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom resolution. Determined by X-ray diffraction at 1.53 Å resolution. Released 19 Jun 2019.

Method: X-ray diffraction
Resolution: 1.53 Å
Organism: Schistosoma japonicum
Chains: 2
Atoms: 3,992
Mol. weight: 52.1 kDa
Ligands: REF, GSH
Released: 19 Jun 2019

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

Secondary structure: helices and β-sheets

6RWD contains 18 α-helices and 12 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: 9 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	1
α-helix	11-13	3
α-helix	14-22	9
β-strand	28-32	5	1
α-helix	37-43	7
β-strand	56-58	3	1
β-strand	63-65	3	1
α-helix	67-77	11
α-helix	85-109	25
α-helix	114-138	25
β-strand	141	1	2
β-strand	144	1	2
α-helix	149-164	16
α-helix	173-183	11
α-helix	186-193	8

Chain B: 9 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	3
α-helix	11-13	3
α-helix	14-23	10
β-strand	28-32	5	3
α-helix	37-41	5
β-strand	56-58	3	3
β-strand	63-65	3	3
α-helix	67-77	11
α-helix	85-106	22
α-helix	114-135	22
β-strand	141	1	4
β-strand	144	1	4
α-helix	149-164	16
α-helix	173-184	12
α-helix	186-193	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Glutathione S-transferase class-mu 26 kDa isozyme	A, B	protein	218	Schistosoma japonicum	P08515 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>6RWD_1 Glutathione S-transferase class-mu 26 kDa isozyme (chains A, B)
MSPILGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLPYYID
GDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLDIRYGVSRIAYSKDFETLKV
DFLSKLPEMLKMFEDRLCHKTYLNGDHVTHPDFMLYDALDVVLYMDPMCLDAFPKLVCFK
KRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGDHPPK

Ligands and cofactors

ID	Name	Formula	Copies
REF	2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione	C14 H6 O8	1
GSH	Glutathione	C10 H17 N3 O6 S	2

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

Primary citation

Molecular basis of inhibition of Schistosoma japonicum glutathione transferase by ellagic acid: Insights into biophysical and structural studies. Akumadu, B.O., Pandian, R., Olfsen, J. et al. Mol Biochem Parasitol (2020) 240:111319-111319. DOI 10.1016/j.molbiopara.2020.111319 · PubMed

Other PDB entries of the same protein (UniProt P08515 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8OK1 1.38 Å, WD repeat containing protein 5 (WDR5)- N225A mutant
6JI6 1.5 Å, Crystal structure of glutathione S-transferase complexed and modified with glutathione
4WR4 1.6 Å, Crystal Structure of GST Mutated with Halogenated Tyrosine (7bGST-1)
9NME 1.6 Å, SARS-CoV-2 3CLPro in complex with 2-[2-hydroxy-3-(4-isoquinolyl)-4-oxo-6-(trifluoromethyl…
8GYD 1.7 Å, Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand…
9N4U 1.77 Å, Crystal structure of PAK1 bound to compound R1
1DUG 1.8 Å, Structure of the fibrinogen G chain integrin binding and factor xiiia crosslinking sites…
9NMF 1.8 Å, SARS-CoV-2 3CLPro in complex with 8-(6-amino-3-pyridyl)-2-hydroxy-3-(4-isoquinolyl)-6-(tr…
7AL7 1.8 Å, The Crystal Structure of Human IL-18 in Complex With Human IL-18 Binding Protein
8OKF 1.85 Å, WD repeat containing protein 5 (WDR5)- PER2 peptide
9N48 1.85 Å, Crystal structure of PAK1 bound to compound C1
3CRT 1.9 Å, Structural characterization of an engineered allosteric protein

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