Structure of PDB 4ymu Chain J Binding Site BS02

Receptor Information
>4ymu Chain J (length=240) Species: 273068 (Caldanaerobacter subterraneus subsp. tengcongensis MB4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLL
EEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITL
APVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARA
LAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAR
EVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKIL
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 chain4ymu Chain J Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ymu Structural basis for substrate specificity of an amino acid ABC transporter
Resolution2.503 Å
Binding residue
(original residue number in PDB)
S41 E162
Binding residue
(residue number reindexed from 1)
S41 E162
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0015424 ABC-type amino acid transporter activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0003333 amino acid transmembrane transport

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Molecular Function

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Biological Process
External links
PDB RCSB:4ymu, PDBe:4ymu, PDBj:4ymu
PDBsum4ymu
PubMed25848002
UniProtQ8RCC2

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