Structure of PDB 1usk Chain A Binding Site BS01

Receptor Information
>1usk Chain A (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)		C78 S79 G100 T102 Y150 Y202 E226 Y276
Binding residue
(residue number reindexed from 1)		C78 S79 G100 T102 Y150 Y202 E226 Y276
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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