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PDBsum entry 3s3j

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protein ligands links
Transferase/transferase inhibitor PDB id
3s3j
Jmol
Contents
Protein chain
650 a.a.
Ligands
PHQ-02Y-VAL-PRO-
LEU
SO4 ×6
GOL
Waters ×125
PDB id:
3s3j
Name: Transferase/transferase inhibitor
Title: Transglutaminase 2 in complex with a novel inhibitor
Structure: Protein-glutamine gamma-glutamyltransferase 2. Chain: a. Fragment: unp residues 2-687. Synonym: tissue transglutaminase, transglutaminasE C, tg(c) tgasE C, transglutaminase h, tgase h, transglutaminase-2, t engineered: yes. Peptide inhibitor. Chain: b. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: tgm2. Expressed in: escherichia coli. Expression_system_taxid: 562. Synthetic: yes. Synthetic construct. Organism_taxid: 32630
Resolution:
2.25Å     R-factor:   0.218     R-free:   0.281
Authors: I.Lindemann,A.Heine,G.Klebe
Key ref: I.Lindemann et al. Inhibitors of transglutaminase 2: a therapeutic optio celiac disease. To be published, .
Date:
18-May-11     Release date:   06-Jun-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P21980  (TGM2_HUMAN) -  Protein-glutamine gamma-glutamyltransferase 2
Seq:
Struc:
 
Seq:
Struc:
687 a.a.
650 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.2.3.2.13  - Protein-glutamine gamma-glutamyltransferase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Protein glutamine + alkylamine = protein N5-alkylglutamine + NH3
Protein glutamine
Bound ligand (Het Group name = 02Y)
matches with 53.33% similarity
+ alkylamine
= protein N(5)-alkylglutamine
+ NH(3)
      Cofactor: Ca(2+)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     plasma membrane   6 terms 
  Biological process     positive regulation of cell adhesion   16 terms 
  Biochemical function     protein binding     7 terms