Structure of PDB 8oxx Chain A Binding Site BS06

Receptor Information
>8oxx Chain A (length=460) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AALGVQSINWQTAFNRQAHHTDKFSSQELILRRGQNFQVLMIMNKGLGSN
ERLEFIVSTGPYPSESAMTKAVFPLSNGSSGGWSAVLQASNGNTLTISIS
SPASAPIGRYTMALQIFSQGGISSVKLGTFILLFNPWLNVDSVFMGNHAE
REEYVQEDAGIIFVGSTNRIGMIGWNFGQFEEDILSICLSILDRSLNFRR
DAATDVASRNDPKYVGRVLSAMINSNDDNGVLAGNWSGTYTGGRDPRSWN
GSVEILKNWKKSGFSPVRYGQCWVFAGTLNTALRSLGIPSRVITNFNSAH
DTDRNLSVDVYYDPMGNPLDKGSDSVWNFHVWNEGWFVRSDLGPSYGGWQ
VLDATPQERSQGVFQCGPASVIGVREGDVQLNFDMPFIFAEVNADRITWL
YDNTTGKQWKNSVNSHTIGRYISTKAVGSNARMDVTDKYKYPEGSDQERQ
VFQKALGKLK
Ligand information
Ligand IDDVA
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyKZSNJWFQEVHDMF-SCSAIBSYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)N
CACTVS 3.341CC(C)[C@@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)[C@H](C(=O)O)N
CACTVS 3.341CC(C)[CH](N)C(O)=O
FormulaC5 H11 N O2
NameD-VALINE
ChEMBLCHEMBL1232398
DrugBank
ZINCZINC000000896156
PDB chain8oxx Chain A Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8oxx Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W328 N329
Binding residue
(residue number reindexed from 1)		W327 N328
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.13: protein-glutamine gamma-glutamyltransferase.
Gene Ontology
Biological Process
GO:0018149 peptide cross-linking

View graph for
Biological Process
External links
PDB RCSB:8oxx, PDBe:8oxx, PDBj:8oxx
PDBsum8oxx
PubMed37798283
UniProtQ08188|TGM3_HUMAN Protein-glutamine gamma-glutamyltransferase E (Gene Name=TGM3)

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