Structure of PDB 4qfl Chain A Binding Site BS01

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 IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain4qfl 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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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 W433 A434 D436
Binding residue
(residue number reindexed from 1)		T20 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:4qfl, PDBe:4qfl, PDBj:4qfl
PDBsum4qfl
PubMed25605306
UniProtA7Y7W1

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