Structure of PDB 5f1q Chain B Binding Site BS01

Receptor Information
>5f1q Chain B (length=507) Species: 377628 (Yersinia pestis Nepal516) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTLVYCSEGSPEGFNPQLFTSGTTYDASSVPIYNRLVEFKIGTTEIEPSL
AERWEVSEDGKTYTFYLRKGVKWQDNKDFKPTRDFNADDVIYSFMRQKDD
KNPYHKVSGGSYEYFQGMGMGDLITNVVKVDDNTVRFELTRPESPFLADL
AMDFASILSAEYADNMLKAGTPEKVDLNPIGTGPFQLQQYQKDSRILYKA
FPGFWGTKPKIDRLVFSITPDASVRYAKLQKNECQIMPYPNPADIARMKE
DKTINLMEQPGLNVGYLSFNIEKKPLDNLKVRQALTMAVNKDAIIDAVYQ
GAGQAAKNLIPPTMWGYNDDVKDYAYDPAKAKELLKEAGLPDGFSIDLWA
MPVQRPYNPNARRMAEMIQSDWAKIGVKAKIVTYEWGEYLKRAKDGEHET
VMMGWTGDNGDPDNFFATLFSCDAAKQGSNYSKWCYKPFEDLIQPARAEA
DHDKRVALYKQAQVVMNEQAPALIIAHSTVYEPVRKEVKGYVVDPLGKHH
FDNVSLD
Ligand information
Ligand IDGLN
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)N)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CC(=O)N)[C@@H](C(=O)O)N
ACDLabs 10.04O=C(N)CCC(N)C(=O)O
CACTVS 3.341N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(N)=O)C(O)=O
FormulaC5 H10 N2 O3
NameGLUTAMINE
ChEMBLCHEMBL930
DrugBankDB00130
ZINCZINC000001532526
PDB chain5f1q Chain B Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5f1q Crystal Structure of Periplasmic Dipeptide Transport Protein from Yersinia pestis
Resolution1.956 Å
Binding residue
(original residue number in PDB)		T48 G50 Y142 W433 T434 D436 G525
Binding residue
(residue number reindexed from 1)		T20 G22 Y114 W405 T406 D408 G497
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0071916 dipeptide transmembrane transporter activity
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015833 peptide transport
GO:0035442 dipeptide transmembrane transport
GO:0042938 dipeptide 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
View graph for
Cellular Component
External links
PDB RCSB:5f1q, PDBe:5f1q, PDBj:5f1q
PDBsum5f1q
PubMed
UniProtA0A0H2YM47

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