Structure of PDB 7wst Chain A Binding Site BS02

Receptor Information
>7wst Chain A (length=601) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WQDELTVRGLVAALLIGFIYTVIVMKIALTTGLVPTLNVSAALLSFLALR
GWTRLLERFGVVSRPFTRQENTIVQTCGVACYTIAFAGGFGSTLLGLNKK
TYELAGDSPGNVPGSWKEPGIGWMTGFLLACSFGGLLTLIPLRQVLVVDY
KLVYPSGTATAILINGFHTDQGDKNSRKQIRGFLKYFGGSFLWSFFQWFY
TGGDACGFVQFPTFGLKAWKQTFYFDFSMTYVGAGMICPHIVNISTLLGA
IISWGIMWPLISKNKGDWYPAKVPESSMKSLYGYKAFICIALIMGDGMYH
FIKIVGITAMSMYRQPSWMAYAGYALFSVLAVVTIPVMFKQVKWYYVVIA
YVVAPMLGFANSYGTGLTDINMGYNYGKIALFVFAGWAGKENGVIAGLVA
GTLVKQLVLISADLMQDFKTSYLTQTSPKSMMIAQVVGTAMGCIVSPLTF
MLFYKAFDIGNPDGTWKAPYALIYRNMAILGVEGFSVLPKYCIVISGGFF
AFAAILSITRDVMPHKYAKYVPLPMAMAVPFLVGGSFAIDMCLGSLIVFA
WTKINKKEAGFMVPAVASALICGDGIWTFPASILALAKIKPPICMKFLPA
A
Ligand information
Ligand ID554
InChIInChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1
InChIKeyCUZKLRTTYZOCSD-CIUDSAMLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CN([C@@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O
OpenEye OEToolkits 2.0.7C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)O
CACTVS 3.385O[C@@H](CCN[C@@H](CCN1CC[C@H]1C(O)=O)C(O)=O)C(O)=O
CACTVS 3.385O[CH](CCN[CH](CCN1CC[CH]1C(O)=O)C(O)=O)C(O)=O
FormulaC12 H20 N2 O7
Name(2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azetidine-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000005134109
PDB chain7wst Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7wst Uptake mechanism of iron-phytosiderophore from the soil based on the structure of yellow stripe transporter.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G76 V78 F130 G133 S136 Y451 Y547 Y551
Binding residue
(residue number reindexed from 1)		G32 V34 F86 G89 S92 Y374 Y470 Y474
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0035673 oligopeptide transmembrane transporter activity
Biological Process
GO:0035672 oligopeptide transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7wst, PDBe:7wst, PDBj:7wst
PDBsum7wst
PubMed36424382
UniProtM0XJI0

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