Structure of PDB 5jvb Chain B Binding Site BS01

Receptor Information
>5jvb Chain B (length=254) Species: 203124 (Trichodesmium erythraeum IMS101) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKANPQKLVVALLPDESAATVIQNNKGLEMYLENKLNKDIELFVSTDYSS
MIEVASKGRLDLAYFGPLSYVLAKTKSNIEPFAALEKDGKNTYQALVIGN
AEAGINSYEKIEGKIMAYGDQASTSSHLIPKSMLKQKQLKAGENYEEVFV
GAHDAVAIAVANGKAQAGGLSKPIFTALIERGTIDKNKVIIIAESKPFPQ
YPWTMRSDLDSELKTQIQQAFLELEDKAILKPFKADAFTLVTDQDYDVVR
NLGE
Ligand information
Ligand ID2PO
InChIInChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2
InChIKeyABLZXFCXXLZCGV-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]P([O-])=O
CACTVS 3.341[O-][PH]([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)[O-]
FormulaH O3 P
NamePHOSPHONATE
ChEMBL
DrugBank
ZINC
PDB chain5jvb Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jvb The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y55 S130 T131 S132 H160
Binding residue
(residue number reindexed from 1)		Y48 S123 T124 S125 H153
Annotation score1
Binding affinityMOAD: Kd=0.17uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0055085 transmembrane transport
Cellular Component
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:5jvb, PDBe:5jvb, PDBj:5jvb
PDBsum5jvb
PubMed29170493
UniProtQ119I9

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