Structure of PDB 3gq7 Chain A Binding Site BS01

Receptor Information
>3gq7 Chain A (length=605) Species: 10756 (Salasvirus phi29) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHFADLVIQVIDELKQFGVSVKTYGAKGDGVTDDIRAFEKAIESGFPVYV
PYGTFMVSRGIKLPSNTVLTGAGKRNAVIRFMDSVGRGESLMYNENVTTG
NENIFLSSFTLDGNNKRLGQGISGIGGSRESNLSIRACHNVYIRDIEAVD
CTLHGIDITCGGLDYPYLGDGTTAPNPSENIWIENCEATGFGDDGITTHH
SQYINILNCYSHDPRLTANCNGFEIDDGSRHVVLSNNRSKGCYGGIEIKA
HGDAPAAYNISINGHMSVEDVRSYNFRHIGHHAATAPQSVSAKNIVASNL
VSIRPNNKRGFQDNATPRVLAVSAYYGVVINGLTGYTDDPNLLTETVVSV
QFRARNCSLNGVVLTGFSNSENGIYVIGGSRGGDAVNISNVTLNNSGRYG
VSIGSGIENVSITNISGIGDGINSPVALVSTINSNPEISGLSSIGYPTVA
RVAGTDYNDGLTLFNGAFRASTTSSGKIHSEGFIMGSTSGCEASVSKSGV
LTSSSSKTSSERSLIAGSSTSEAKGTYNTILGSLGAVADEQFAALISASQ
SRASGNHNLILSSYGINTTGSYKVNGGFEKINWELDSLNGRIKARDTVTG
GNTWS
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 chain3gq7 Chain A Residue 1 [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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PDB3gq7 Crystallographic insights into the autocatalytic assembly mechanism of a bacteriophage tail spike.
Resolution2.05 Å
Binding residue
(original residue number in PDB)
D279 D280 N305 E310
Binding residue
(residue number reindexed from 1)
D193 D194 N219 E224
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3gq7, PDBe:3gq7, PDBj:3gq7
PDBsum3gq7
PubMed19450535
UniProtP20345|FIB12_BPPH2 Pre-neck appendage protein (Gene Name=12)

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