Structure of PDB 4dkt Chain A Binding Site BS01

Receptor Information
>4dkt Chain A (length=636) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQGTLIRVTPEQPTHAVCVLGTLTQLDICSSAPEDCTSFSINASPGVVVD
IAHSTWPLDPGVEVTLTMKAASGSTGDQKVQISYYGPKTPPVKALLYLTA
VEISLCADITRTGKVKPTKDQRTWTWGPCGQGAILLVNCDRDNLESSAMD
CEDDEVLDSEDLQDMSLMTLSTKTPKDFFTNHTLVLHVARSEMDKVRVFQ
ATCSVVLGPKWPSHYLMVPGGKHNMDFYVEALAFPDTDFPGLITLTISLL
DTSNLELPEAVVFQDSVVFRVAPWIMTPNTQPPQEVYACEDFLKSVTTLA
MKAKCKLTICPEEENMDDQWMQDEMEIGYIQAPHKTLPVVFDSPRNRGLK
EFPIKRVMGPDFGYVTRGPQTGGISGLDSFGNLEVSPPVTVRGKEYPLGR
ILFGDSCYPSNDSRQMHQALQDFLSAQQVQAPVKLYSDWLSVGHVDEFLS
FVPAPDRKGFRLLLASPRSCYKLFQEQQNEGHGEALLFEGIKKKKQQKIK
NILSNKTLREHNSFVERCIDWNRELLKRELGLAESDIIDIPQLFKLKEFS
KAEAFFPNMVNMLVLGKHLGIPKPFGPVINGRCCLEEKVCSLLEPLGLQC
TFINDFFTYHIRHGEVHCGTNVRRKPFSFKWWNMVP
Ligand information
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4dkt Synthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors.
Resolution2.98 Å
Binding residue
(original residue number in PDB)		Q346 W347 R374 R639
Binding residue
(residue number reindexed from 1)		Q319 W320 R347 R612
Enzymatic activity
Catalytic site (original residue number in PDB) D350 H471 D473 C645
Catalytic site (residue number reindexed from 1) D323 H444 D446 C618
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
GO:0046872 metal ion binding
GO:0140794 histone arginine deiminase activity
GO:0140795 histone H3R2 arginine deiminase activity
GO:0140796 histone H3R8 arginine deiminase activity
GO:0140797 histone H3R17 arginine deiminase activity
GO:0140798 histone H3R26 arginine deiminase activity
Biological Process
GO:0006325 chromatin organization
GO:0006334 nucleosome assembly
GO:0006338 chromatin remodeling
GO:0019827 stem cell population maintenance
GO:0036211 protein modification process
GO:0043687 post-translational protein modification
GO:0045087 innate immune response
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4dkt, PDBe:4dkt, PDBj:4dkt
PDBsum4dkt
PubMed22004374
UniProtQ9UM07|PADI4_HUMAN Protein-arginine deiminase type-4 (Gene Name=PADI4)

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