Structure of PDB 7usl Chain C Binding Site BS25

Receptor Information
>7usl Chain C (length=715) Species: 520 (Bordetella pertussis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGLRKMLADLQAGWNASSVIGVQTTEISKSALELAAITGNADNLKSVDVF
VDRFVQGERVVLDVAAGGIDIASRKGERPALTFITPLAAPGEEQRRRTKT
GKSEFTTFVEIVGKQDRWRIRDGAADTTIDLAKVVSQLVDANGVLKHSIK
LDVIGGDGDDVVLANASRIHYDGGAGTNTVSYAALGRQDSITVSADGERF
NVRKQLNNANVYREGVATQTTAYGKRTENVQYRHVELARVGQLVEVDTLE
HVQHIIGGAGNDSITGNAHDNFLAGGSGDDRLDGGAGNDTLVGGEGQNTV
IGGAGDDVFLQDLGVWSNQLDGGAGVDTVKYNVHQPSEERLERMGDTGIH
ADLQKGTVEKWPALNLFSVDHVKNIENLHGSRLNDRIAGDDQDNELWGHD
GNDTIRGRGGDDILRGGLGLDTLYGEDGNDIFLQDDETVSDDIDGGAGLD
TVDYSAMIHPGRIVAPHEYGFGIEADLSREWVRKASALGVDYYDNVRNVE
NVIGTSMKDVLIGDAQANTLMGQGGDDTVRGGDGDDLLFGGDGNDMLYGD
AGNDTLYGGLGDDTLEGGAGNDWFGQTQAREHDVLRGGDGVDTVDYLGIL
ADLGAGRVDKLGEAGSSAYDTVSGIENVVGTELADRITGDAQANVLRGAG
GADVLAGGEGDDVLLGGDGDDQLSGDAGRDRLYGEAGDDWFFQDAANAGN
LLDGGDGRDTVDFSG
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 chain7usl Chain C Residue 1825 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7usl Structural basis for non-canonical integrin engagement by Bordetella adenylate cyclase toxin.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D1413 Q1415 N1417 G1430 E1432 D1435
Binding residue
(residue number reindexed from 1)		D640 Q642 N644 G657 E659 D662
Annotation score1
Enzymatic activity
Enzyme Commision number 4.6.1.1: adenylate cyclase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0015267 channel activity
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7usl, PDBe:7usl, PDBj:7usl
PDBsum7usl
PubMed35977491
UniProtP0DKX7|CYAA_BORPE Bifunctional hemolysin/adenylate cyclase (Gene Name=cya)

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