Structure of PDB 1usk Chain D Binding Site BS01

Receptor Information
>1usk Chain D (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 IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain1usk Chain A Residue 1347 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1usk X-Ray Structures of the Leucine-Binding Protein Illustrate Conformational Changes and the Basis of Ligand Specificity
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K344 A345
Binding residue
(residue number reindexed from 1)		K344 A345
Annotation score4
Binding affinityMOAD: Kd=0.4uM
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:1usk, PDBe:1usk, PDBj:1usk
PDBsum1usk
PubMed14672931
UniProtP04816|LIVK_ECOLI Leucine-specific-binding protein (Gene Name=livK)

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