Structure of PDB 1usi Chain C Binding Site BS01

Receptor Information
>1usi Chain C (length=345) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDIKVAVVGAMSGPIAQWGDMEFNGARQAIKDINAKGGIKGDKLVGVEYD
DACDPKQAVAVANKIVNDGIKYVIGHLCSSSTQPASDIYEDEGILMISPG
ATNPELTQRGYQHIMRTAGLDSSQGPTAAKYILETVKPQRIAIIHDKQQY
GEGLARSVQDGLKAANANVVFFDGITAGEKDFSALIARLKKENIDFVYYG
GYYPEMGQMLRQARSVGLKTQFMGPEGVGNASLSNIAGDAAEGMLVTMPK
RYDQDPANQGIVDALKADKKDPSGPYVWITYAAVQSLATALERTGSDEPL
ALVKDLKANGANTVIGPLNWDEKGDLKGFDFGVFQWHADGSSTKA
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 chain1usi Chain A Residue 1346 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1usi X-Ray Structures of the Leucine-Binding Protein Illustrate Conformational Changes and the Basis of Ligand Specificity
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K344 A345
Binding residue
(residue number reindexed from 1)		K344 A345
Annotation score4
Binding affinityMOAD: Kd=0.18uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0070728 L-leucine binding
Biological Process
GO:0006865 amino acid transport
GO:0015803 branched-chain amino acid transport
GO:0015820 L-leucine transport
GO:0015823 phenylalanine transport
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1usi, PDBe:1usi, PDBj:1usi
PDBsum1usi
PubMed14672931
UniProtP04816|LIVK_ECOLI Leucine-specific-binding protein (Gene Name=livK)

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