Structure of PDB 4qfp Chain A Binding Site BS01

Receptor Information
>4qfp 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 IDVAL
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)O)N
CACTVS 3.341CC(C)[C@H](N)C(O)=O
CACTVS 3.341CC(C)[CH](N)C(O)=O
FormulaC5 H11 N O2
NameVALINE
ChEMBLCHEMBL43068
DrugBankDB00161
ZINCZINC000000895099
PDB chain4qfp Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qfp Structural insights into the multispecific recognition of dipeptides of deep-sea gram-negative bacterium Pseudoalteromonas sp. strain SM9913
Resolution1.903 Å
Binding residue
(original residue number in PDB)		T48 G50 W433 A434 D436
Binding residue
(residue number reindexed from 1)		T20 G22 W405 A406 D408
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=4.23,Kd=58.6uM
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:4qfp, PDBe:4qfp, PDBj:4qfp
PDBsum4qfp
PubMed25605306
UniProtA7Y7W1

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