Structure of PDB 8oxx Chain A Binding Site BS04

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 IDP6S
InChIInChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKeyNJAPCAIWQRPQPY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)O
ACDLabs 12.01C(OC(=O)O)c1ccccc1
CACTVS 3.385OC(=O)OCc1ccccc1
FormulaC8 H8 O3
Namebenzyl hydrogen carbonate
ChEMBL
DrugBank
ZINCZINC000005933548
PDB chain8oxx Chain A Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		W274 F330
Binding residue
(residue number reindexed from 1)		W273 F329
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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