Structure of PDB 6x42 Chain X Binding Site BS03

Receptor Information

>6x42 Chain X (length=265) Species: 5833 (Plasmodium falciparum)

DNMFCNKEYCNRLKDENNCISNLQVEDQGNCDTSWIFASKYHLETIRCMK
GYEPTKISALYVANCYKGEHKDRCDEGSSPMEFLQIIEDYGFLPAESNYP
YNYVKVGEQCPKVEDHWMNLWDNGKILHNKNEPNSLDGKGYTAYESERFH
DNMDAFVKIIKTEVMNKGSVIAYIKAENVMGYEFSGKKVQNLCGDDTADH
AVNIVGYGNYVNSEGEKKSYWIVRNSWGPYWGDEGYFKVDMYGPTHCHFN
FIHSVVIFNVDLPMN

Ligand information

• Ligand ID: I3C
• InChI: InChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
• InChIKey: JEZJSNULLBSYHV-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O
  CACTVS 3.341: Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I
  ACDLabs 10.04: Ic1c(C(=O)O)c(I)c(c(I)c1N)C(=O)O
• Formula: C8 H4 I3 N O4
• Name: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid;
  5-Amino-2,4,6-triiodoisophthalic acid
• ZINC: ZINC000004806327
• PDB chain: 6x42 Chain X Residue 904

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6x42 Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): N771 Y772 K779 K780
• Binding residue (residue number reindexed from 1): N209 Y210 K217 K218
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Q590 S596 H762 N787
• Catalytic site (residue number reindexed from 1): Q28 S34 H200 N225
• Enzyme Commision number: 3.4.22.-

Gene Ontology

Molecular Function

• GO:0008234 cysteine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:6x42, PDBe:6x42, PDBj:6x42
• PDBsum: 6x42
• PubMed: 32955133
• UniProt: Q9TY95|SERA5_PLAF7 Serine-repeat antigen protein 5 (Gene Name=SERA5)