Structure of PDB 4pft Chain B Binding Site BS03

Receptor Information
>4pft Chain B (length=538) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFERNKTLYWGGALWSPPSNWNPFTPWNAVAGTIGLVYEPLFLYDPLNDK
FEPWLAEKGEWVSNNEYVLTLRKGLRWQDGVPLTADDVVFTFEIAKKYTG
ISYSPVWNWLGRIERVDERTLKFVFSDPRYQEWKQMLINTPIVPKHIWEN
KTEEEVLQAANENPVGSGPYYVESWADDRCVFKKNGNWWGIRELGYDPKP
ERIVELRVLSNNVAVGMLMKGELDWSNFFLPGVPVLKKAYGIVTWYENAP
YMLPANTAGIYINVNKYPLSIPEFRRAMAYAINPEKIVTRAYENMVTAAN
PAGILPLPGYMKYYPKEVVDKYGFKYDPEMAKKILDELGFKDVNKDGFRE
DPNGKPFKLTIECPYGWTDWMVSIQSIAEDLVKVGINVEPKYPDYSKYAD
DLYGGKFDLILNNFTTGVSATIWSYFNGVFYPDAVESEYSYSGNFGKYAN
PEVETLLDELNRSNDDAKIKEVVAKLSEILLKDLPFIPLWYNGAWFQASE
AVWTNWPTEKNPYAVPIGWNGWWQLTGIKTLFGIEAKH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4pft Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pft Duplication of Genes in an ATP-binding Cassette Transport System Increases Dynamic Range While Maintaining Ligand Specificity.
Resolution1.747 Å
Binding residue
(original residue number in PDB)		D362 N364 D366 F368 E370
Binding residue
(residue number reindexed from 1)		D342 N344 D346 F348 E350
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015833 peptide transport
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4pft, PDBe:4pft, PDBj:4pft
PDBsum4pft
PubMed25210043
UniProtQ9X0V0

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