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BioLiP

Structure of PDB 4aq1 Chain A Binding Site BS01

Receptor Information
>4aq1 Chain A (length=721) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVPEIVEVTAVNSTTVKVTFNTQIADVDFTNFAIDNGLTVTKATLSRDKK
SVEVVVNKPFTRNQEYTITATGIKNLKGETAKELTGKFVWSVQDAVTVAL
NNSSLKVGEESGLTVKDQDGKDVVGAKVELTSSNTNIVVVSSGEVSVSAA
KVTAVKPGTADVTAKVTLPDGVVLTNTFKVTVTEVPVQVQNQGFTLVDNL
SNAPQNTVAFNKAEKVTSMFAGETKTVAMYDTKNGDPETKPVDFKDATVR
SLNPIIATAAINGSELLVTANAGQSGKASFEVTFKDNTKRTFTVDVKKEP
VLQDIKVDATSVKLSDEAVGGGEVEGVNQKTIKVSAVDQYGKEIKFGTKG
KVTVTTNTEGLVIKNVNSDNTIDFDSGNSATDQFVVVATKDKIVNGKVEV
KYFKNASDTTPTSTKTITVNVVNVKADATPVGLDIVAPSEIDVNAPNTAS
TADVDFINFESVEIYTLDSNGNRLKKVTPTATTLVGTNDYVEVNGNVLQF
KGNDELTLLTSSSTVNVDVTADGITKRIPVKYINSASVPASATVATSPVT
VKLNSSDNDLTFEELIFGVIDPTQLVKDEDINEFIAVSKAAKNDGYLYNK
PLVTVKDASGEVIPTGANVYGLNHDATNGNIWFDEEQAGLAKKFSDVHFD
VDFSLANVVKTGSGTVSSSPSLSDAIQLTNSGDAVSFTLVIKSIYVKGAD
KDDNNLLAAPVSVNVTVTKGS
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 chain4aq1 Chain A Residue 1923 [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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PDB4aq1 Sbsb Structure and Lattice Reconstruction Unveil Ca21 Triggered S-Layer Assembly
Resolution2.42 Å
Binding residue
(original residue number in PDB)		Q406 T440 D779 D781
Binding residue
(residue number reindexed from 1)		Q205 T239 D578 D580
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042802 identical protein binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links

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