Structure of PDB 1vea Chain A Binding Site BS01

Receptor Information
>1vea Chain A (length=143) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERRIGRLSVLLLLNEAEESTQVEELERDGWKVCLGKVGSMDAHKVIAAIE
TASKKSGVIQSEGYRESHALYHATMEALHGVTRGEMLLGSLLRTVGLRFA
VLRGNPYESEAEGDWIAVSLYGTIGAPIKGLEHETFGVGINHI
Ligand information
Ligand IDHBN
InChIInChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m1/s1
InChIKeyDKDILZBBFKZMRO-OAHLLOKOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N
ACDLabs 10.04O=C(Nc2cc1ccccc1cc2)C(N)Cc3cncn3
CACTVS 3.341N[CH](Cc1[nH]cnc1)C(=O)Nc2ccc3ccccc3c2
CACTVS 3.341N[C@H](Cc1[nH]cnc1)C(=O)Nc2ccc3ccccc3c2
FormulaC16 H16 N4 O
NameN-(2-NAPHTHYL)HISTIDINAMIDE;
L-HISTIDINE BETA NAPHTHYLAMIDE
ChEMBL
DrugBankDB01938
ZINCZINC000008585585
PDB chain1vea Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1vea Crystal Structure of Activated HutP; An RNA Binding Protein that Regulates Transcription of the hut Operon in Bacillus subtilis
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G85 R88 E139 T140 F141
Binding residue
(residue number reindexed from 1)		G80 R83 E134 T135 F136
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.52,Kd=30nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003729 mRNA binding
Biological Process
GO:0006547 L-histidine metabolic process
GO:0010628 positive regulation of gene expression

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Molecular Function
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Biological Process
External links
PDB RCSB:1vea, PDBe:1vea, PDBj:1vea
PDBsum1vea
PubMed15242603
UniProtP10943|HUTP_BACSU Hut operon positive regulatory protein (Gene Name=hutP)

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