Structure of PDB 1hsl Chain B Binding Site BS01

Receptor Information
>1hsl Chain B (length=238) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIPQKIRIGTDPTYAPFESKNAQGELVGFDIDLAKELCKRINTQCTFVEN
PLDALIPSLKAKKIDAIMSSLSITEKRQQEIAFTDKLYAADSRLVVAKNS
DIQPTVASLKGKRVGVLQGTTQETFGNEHWAPKGIEIVSYQGQDNIYSDL
TAGRIDAAFQDEVAASEGFLKQPVGKDYKFGGPAVKDEKLFGVGTGMGLR
KEDNELREALNKAFAEMRADGTYEKLAKKYFDFDVYGG
Ligand information
Ligand IDHIS
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c[nH+]1)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1cnc[nH+]1
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
FormulaC6 H10 N3 O2
NameHISTIDINE
ChEMBL
DrugBank
ZINC
PDB chain1hsl Chain B Residue 239 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hsl Refined 1.89-A structure of the histidine-binding protein complexed with histidine and its relationship with many other active transport/chemosensory proteins.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		Y14 S69 S70 L71 S72 R77 T120 T121 D161
Binding residue
(residue number reindexed from 1)		Y14 S69 S70 L71 S72 R77 T120 T121 D161
Annotation score4
Binding affinityMOAD: Kd=0.064uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016597 amino acid binding
Biological Process
GO:0006865 amino acid transport
GO:0071705 nitrogen compound transport
GO:1903810 L-histidine import across plasma membrane
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:1hsl, PDBe:1hsl, PDBj:1hsl
PDBsum1hsl
PubMed8161536
UniProtP0AEU0|HISJ_ECOLI Histidine-binding periplasmic protein (Gene Name=hisJ)

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