Structure of PDB 4zir Chain A Binding Site BS01

Receptor Information
>4zir Chain A (length=263) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRIEVVNVSHIFHRGTPLEKKALENVSLVINEGECLLVAGNTGSGKSTLL
QIVAGLIEPTSGDVLYDGEKGYEIRRNIGIAFQYPEDQFFAERVFDEVAF
AVKNFYPDRDPVPLVKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASV
IVHEPDILILDEPLVGLDREGKTDLLRIVEKWKTLGKTVILISHDIETVI
NHVDRVVVLEKGKKVFDGTRMEFLEKYDPRFFTSKMLVMRRLVLKGEDPF
SMSDDELLERVCN
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 chain4zir Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zir ATP binding drives substrate capture in an ECF transporter by a release-and-catch mechanism.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S47 Q85 D163
Binding residue
(residue number reindexed from 1)		S47 Q83 D161
Annotation score1
Enzymatic activity
Enzyme Commision number 7.-.-.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0032217 riboflavin transmembrane transporter activity
GO:0042626 ATPase-coupled transmembrane transporter activity
Biological Process
GO:0032218 riboflavin transport
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
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:4zir, PDBe:4zir, PDBj:4zir
PDBsum4zir
PubMed26052893
UniProtQ9WY65|ECFA2_THEMA Energy-coupling factor transporter ATP-binding protein EcfA2 (Gene Name=ecfA2)

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