Structure of PDB 7dan Chain B

Receptor sequence

>7danB (length=635) Species: 9606 (Homo sapiens)

MSLQRIVRVSLEHPTSAVCVAGVETLVDIYGSVPEGTEMFEVYGTPGVDI
YISPNMERGRERADTRRWRFDATLEIIVVMNSPSNDLNDSHVQISYHSSH
EPLPLAYAVLYLTCVDISLDCDLNCEDKRQWVWGPSGYGGILLVNCDRDD
VQDNCDQHVHCLQDLEDMSVMVLRTQGPAALFDDHKLVLHTSSYDAKRAQ
VFHICGPEDVCEAYRHVLGQDKVSYEVPRLHGDEERFFVEGLSFPDAGFT
GLISFHVTLLDDSASPIFTDTVVFRVAPWIMTPSTLPPLEVYVCRVRNNT
CFVDAVAELARKAGCKLTICPQRWIQDEMELGYVQAPHKTLPVVFDSPRN
GELQDFPYKRILGPDFGYVTREPRSVSGLDSFGNLEVSPPVVANGKEYPL
GRILIGGNLPGSRRVTQVVRDFLHAQKVQPPVELFVDWLAVGHVDEFLSF
VPAPDGKGFRMLLASPGACFKLFQEKQKCGHGRALLFQGVVDDVKTISIN
QVLSNKDLINYNKFVQSCIDWNREVLKRELGLAECDIIDIPQLFKTERKK
ATAFFPDLVNMLVLGKHLGIPKPFGPIINGCCCLEEKVRSLLEPLGLHCT
FIDDFTPYHMLHGEVHCGTNVCRKPFSFKWWNMVP

3D structure

• PDB: 7dan Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
• Chain: B
• Resolution: 3.1 Å

Enzymatic activity

• Enzyme Commision number: 3.5.3.15: protein-arginine deiminase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	CA	B	Q349 E353 F407 L410 E411	Q326 E330 F382 L385 E386
BS02	CA	B	N153 D155 D157 D165 D176 D179	N145 D147 D149 D153 D164 D167
BS03	CA	B	D157 D179 D388	D149 D167 D365
BS04	CA	B	D369 S370 N373	D346 S347 N350
BS05	CA	B	D165 D168	D153 D156

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

External links

• PDB: RCSB:7dan, PDBe:7dan, PDBj:7dan
• PDBsum: 7dan
• PubMed: 33971157
• UniProt: Q9ULW8|PADI3_HUMAN Protein-arginine deiminase type-3 (Gene Name=PADI3)