Structure of PDB 7d5r Chain A Binding Site BS04

Receptor Information
>7d5r Chain A (length=619) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQRIVRVSLEHPTSAVCVAGVETLVDIYGSVPEGTEMFEVYGTPGVDIYI
SPNMERGRERADTRRWRFDATLEIIVVMNSPSNDLNDSHVQISYHSSHEP
LPLAYAVLYLTCVDISLDCDLNKRQWVWGPSGYGGILLVNCDRDDDNCDQ
HVHCLQDLEDMSVMVLRTQGPAALFDDHKLVLHTSSYDAKRAQVFHICGP
EDVCEAYRHVLGQDKVSYEVPRLHGDEERFFVEGLSFPDAGFTGLISFHV
TLLDDDFSASPIFTDTVVFRVAPWIMTPSTLPPLEVYVCNTCFVDAVAEL
ARKAGCKLTICPQAWIQDEMELGYVQAPHKTLPVVFDSPRNLQDFPYKRI
LGPDFGYVTREPRGLDSFGNLEVSPPVVANGKEYPLGRILIGGNLPGRRV
TQVVRDFLHAQKVQPPVELFVDWLAVGHVDEFLSFVPAPDGKGFRMLLAS
PGACFKLFQEKQKCGHGRALLFQGVVDVKTISINQVLSNKDLINYNKFVQ
SCIDWNREVLKRELGLAECDIIDIPQLFKTERKKATAFFPDLVNMLVLGK
HLGIPKPFGPIINGCCCLEEKVRSLLEPLGLHCTFIDDFTPYHMLHGEVH
AGTNVCRKPFSFKWWNMVP
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 chain7d5r Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7d5r Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Resolution3.148 Å
Binding residue
(original residue number in PDB)		N153 D155 D157 D165 D176 D179
Binding residue
(residue number reindexed from 1)		N140 D142 D144 D146 D157 D160
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.3.15: protein-arginine deiminase.
Gene Ontology
Molecular Function
GO:0004668 protein-arginine deiminase activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0043231 intracellular membrane-bounded organelle

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7d5r, PDBe:7d5r, PDBj:7d5r
PDBsum7d5r
PubMed33971157
UniProtQ9ULW8|PADI3_HUMAN Protein-arginine deiminase type-3 (Gene Name=PADI3)

[Back to BioLiP]