Structure of PDB 4qfp Chain B Binding Site BS01

Receptor Information
>4qfp Chain B (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 B 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
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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