Structure of PDB 3qr0 Chain A Binding Site BS01

Receptor Information
>3qr0 Chain A (length=781) Species: 6610 (Sepia officinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IELKWPKVPEQLIKGDKFLKWEEGSSGFIEILLRVDPKGYFLYWKIEGKE
DTQLLDLAYVRDIRCAKYAKPPKDKKIKEAGTNFGSSNIPLQDKCVTICH
GYNYIDLEWTHLVAENSSVAKKWSEEVFSYAYNLLSLNKNQLGEWEKLYF
RLTTVEMEKNKIPVKAIQKCLSKDKDDRARISKALEKIGWPSGKNDAIDL
KAFDFDTFFKFYLALLERSEIEGIFKELSKNKGNITTVMFRDFLNDMQRH
PSLHKTLFPLYTDAQCEALINDYESAVNKKGKKKGQLTKEGLLYFLMCEE
NNLTPMHRLDLGANMKLTLAAYYINSSHNTYLTGHQLTGKSSVEIYRQVL
LTGCRCLELDCWDGKDGEPIITHGFTMCTEVLFKDVVYAIAESAFKVSDY
PVILSFENHCSVAQQKLLAQYCNEAFGELLLDKPIDGHPLKPGVPLPTPY
DLRKKILIKNKKMHGLTDEEKKKIEKEKKDAGTAAKEAEAAEEMSALVNY
IQPVHFTTFEQAQKKDRHYEMSSMVETQALNKLKDNPEDFVDYNKKQITR
IYPKGTRVDSSNYVPQIYWNAGCQLVALNFQCFDIAMCVNLGVFEYNGCS
GYLLKPEFMRKLDKRFDPFTESTVDGVVAGTIEIKIISAQFLSDKQISSY
VEVEMYGLPTDTVRKKFKTKIIENNGMDPYYDEKVFVFKKVVLPDLAVVR
IIVSEENGKFIGHRVMPLDGIKPGYRHVPLRNESNRPLGLASVFAHIVAK
DYVSYQSAQEARAAALCAFEDDPDAALNAAK
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 chain3qr0 Chain A Residue 1000 [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]
PDB3qr0 An autoinhibitory helix in the C-terminal region of phospholipase C-beta mediates Galphaq activation.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N339 E368 D370 E417
Binding residue
(residue number reindexed from 1)		N329 E358 D360 E407
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H338 N339 E368 D370 H383 E417
Catalytic site (residue number reindexed from 1) H328 N329 E358 D360 H373 E407
Enzyme Commision number 3.1.4.11: phosphoinositide phospholipase C.
Gene Ontology
Molecular Function
GO:0004435 phosphatidylinositol phospholipase C activity
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0007165 signal transduction
GO:0035556 intracellular signal transduction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3qr0, PDBe:3qr0, PDBj:3qr0
PDBsum3qr0
PubMed21822282
UniProtF2YQ19

[Back to BioLiP]