Structure of PDB 8oxw Chain A Binding Site BS01

Receptor Information
>8oxw Chain A (length=679) 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
VFQKALGKLLETEEQEPSIIGKLKVAGMLAVGKEVNLVLLLKNLSRDTKT
VTVNMTAWTIIYNGTLVHEVWKDSATMSLDPEEEAEHPIKISYAQYEKYL
KSDNMIRITAVCKVPDESEVVVERDIILDNPTLTLEVLNEARVRKPVNVQ
MLFSNPLDEPVRDCVLMVEGSGLLLGNLKIDVPTLGPKEGSRVRFDILPS
RSGTKQLLADFSCNKFPAIKAMLSIDVAE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8oxw Chain A Residue 711 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8oxw Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		A222 N225 N227 D229
Binding residue
(residue number reindexed from 1)		A221 N224 N226 D228
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.13: protein-glutamine gamma-glutamyltransferase.
Gene Ontology
Molecular Function
GO:0003810 protein-glutamine gamma-glutamyltransferase activity
GO:0003824 catalytic activity
GO:0005198 structural molecule activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0018149 peptide cross-linking
GO:0030216 keratinocyte differentiation
GO:0031069 hair follicle morphogenesis
GO:0031424 keratinization
GO:0036211 protein modification process
Cellular Component
GO:0005737 cytoplasm
GO:0031234 extrinsic component of cytoplasmic side of plasma membrane
GO:0032991 protein-containing complex
GO:0070062 extracellular exosome

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8oxw, PDBe:8oxw, PDBj:8oxw
PDBsum8oxw
PubMed37798283
UniProtQ08188|TGM3_HUMAN Protein-glutamine gamma-glutamyltransferase E (Gene Name=TGM3)

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