Structure of PDB 3cni Chain A Binding Site BS01

Receptor Information
>3cni Chain A (length=145) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKVAIVREDTGTIAELAEKALGNMVDIVYAGSDLKEAEEAVKKEKAPAII
VIPKGFSQSLESGEKARLEIVWYLRGTGLSEAVSTGTISSLIESLKVQLA
SFLLNDPKKAQLLFDPLEIVQHTYLRGSLFKNHSPEAIMNVFYSQ
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 chain3cni Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cni Structural characterization of the putative ABC-type 2 transporter from Thermotoga maritima MSB8.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S135 E182
Binding residue
(residue number reindexed from 1)		S89 E136
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0140359 ABC-type transporter activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:3cni, PDBe:3cni, PDBj:3cni
PDBsum3cni
PubMed25306867
UniProtQ9WZ13

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