Structure of PDB 4qfl Chain A Binding Site BS02

Receptor Information
>4qfl Chain A (length=507) Species: 234831 (Pseudoalteromonas sp. SM9913) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGLVYCAEANPVSFNPQVTTTGSTIDIIANQLYDRLISIDPVTAEFKSEL
ATDWKISKDGKSVTFTLRKGVKFHTTAYFTPTREFNADDVIFTFSRLFDV
YNPYHFVGDANYPYFQSVGIDQLIRKIVRVSDHQVRFELFNAESSFLANM
ATDFAVVLSKEYAMALKANNQENLFDQYPVGTGPYIYKEYRRDHLVRFYK
NADYWKHEVALEQLVYDITPNGTTRIAKILTKECDVTAHPSSAQLSILAQ
RDDINVERETNLNIGYWAFNTERPPFDNLKVRQALVHAIDIEKIMQAVYY
GNGLRARSILPPTSWAFEPQKNMPIFDPQLAKKLLTEAGYEKGFDMSIWA
MPVSRIYNPNARKMAELMQSDLRKIGVNVNIVEYEWNTFIQRIGEHRHDS
VLLGWAADTPDPDNFFSPLLSCTATFSGKNPANWCNPEFDLLLTKALDTT
DLNLRKQYYDAAQSMIIEQLPLYPIAHGMRFQASSADVEGITLGPFGAIS
LANARKK
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain4qfl Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qfl Structural insights into the multispecific recognition of dipeptides of deep-sea gram-negative bacterium Pseudoalteromonas sp. strain SM9913
Resolution1.749 Å
Binding residue
(original residue number in PDB)		T48 G50 R383 Y385
Binding residue
(residue number reindexed from 1)		T20 G22 R355 Y357
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.11,Kd=7.7uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015833 peptide transport
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
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:4qfl, PDBe:4qfl, PDBj:4qfl
PDBsum4qfl
PubMed25605306
UniProtA7Y7W1

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