Structure of PDB 6iqq Chain D Binding Site BS01

Receptor Information
>6iqq Chain D (length=642) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRADQIPVLKEETQHATVSERVTSRFTRSHYRQFDLDQAFSAKIFDRYLN
LLDYSHNVLLASDVEQFAKKKTELGDELRSGKLDVFYDLYNLAQKRRFER
YQYALSVLEKPMDFTGNDTYNLDRSKAPWPKNEAELNALWDSKVKFDELS
LKLTGKTDKEIRETLTRRYKFAIRRLAQTNSEDVFSLAMTAFAREIDPHT
NYLSPRNTEQFNTEMSLEGIGAVYQMDDDYTVINSMVAGGPAAKSKAISV
GDKIVGVGQTGKPMVDVIGWRLDDVVALIKGPKGSKVRLEILPAGGTKTR
TVTLTRERIRLEDRAVKMSVKTVGKEKVGVLDIPGFYVGLTDDVKVQLQK
LEKQNVSSVIIDLRSNGGGALTEAVSLSGLFIPAGPIVQVRDNNGKVRED
SDTDGQVFYKGPLVVLVDRFSAIASEIFAAAMQDYGRALVVGEPTFGKGT
VQQYRSLNRIYDQMLRPEWPALGSVQYTIQKFYRVNGGSTQRKGVTPDII
MPTGNEETETGEKFEDNALPWDSIDAATYVKSGDLTAFEPELLKEHNARI
AKDPEFQNIMKDIARFNAMKDKRNIVSLNYAVREKENNEDDATRLARLNE
RFKREGKPELKKLDDLPKDYQEPDPYLDETVNIALDLAKLEK
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 chain6iqq Chain D Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6iqq Structural Basis for the Differential Regulatory Roles of the PDZ Domain in C-Terminal Processing Proteases.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G408 I411 P412 D431 D433 Q435
Binding residue
(residue number reindexed from 1)		G379 I382 P383 D402 D404 Q406
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.102: C-terminal processing peptidase.
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6iqq, PDBe:6iqq, PDBj:6iqq
PDBsum6iqq
PubMed31387902
UniProtP23865|PRC_ECOLI Tail-specific protease (Gene Name=prc)

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