Structure of PDB 2hj9 Chain A Binding Site BS01

Receptor Information
>2hj9 Chain A (length=339) Species: 669 (Vibrio harveyi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYWGYQEFLDEFPEQRNLTNALSEAVRAQPVPLSKPTQRPIKISVVYPGQ
QVSDYWVRNIASFEKRLYKLNINYQLNQVFTRPNADIKQQSLSLMEALKS
KSDYLIFTLDTTRHRKFVEHVLDSTNTKLILQNITTPVREWDKHQPFLYV
GFDHAEGSRELATEFGKFFPKHTYYSVLYFSEGYISDVRGDTFIHQVNRD
NNFELQSAYYTKATKQSGYDAAKASLAKHPDVDFIYACSTDVALGAVDAL
AELGREDIMINGWGGGSAELDAIQKGDLDITVMRMNDDTGIAMAEAIKWD
LEDKPVPTVYSGDFEIVTKADSPERIEALKKRAFRYSDN
Ligand information
Ligand IDAI2
InChIInChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1
InChIKeyACKRRKSNOOISSG-VPENINKCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C]12OC[CH](O)[C]1(O)O[B-](O)(O)O2
OpenEye OEToolkits 1.5.0[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O
CACTVS 3.341C[C@]12OC[C@H](O)[C@@]1(O)O[B-](O)(O)O2
ACDLabs 10.04OC1C2(O[B-](OC2(OC1)C)(O)O)O
OpenEye OEToolkits 1.5.0[B-]1(OC2(C(O1)(C(CO2)O)O)C)(O)O
FormulaC5 H10 B O7
Name3A-METHYL-5,6-DIHYDRO-FURO[2,3-D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL;
(2S,3R,4S)-2-METHYL-3,4-DIHYDROXY-OXOLAN-2,3-DIOXY-BORATE
ChEMBLCHEMBL1230903
DrugBank
ZINCZINC000195359531
PDB chain2hj9 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2hj9 Ligand-induced asymmetry in histidine sensor kinase complex regulates quorum sensing.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		Q77 S79 Y81 W82 N159 F206 R215 S265 T266 W289 R310
Binding residue
(residue number reindexed from 1)		Q51 S53 Y55 W56 N133 F180 R189 S239 T240 W263 R284
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0030246 carbohydrate binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:2hj9, PDBe:2hj9, PDBj:2hj9
PDBsum2hj9
PubMed16990134
UniProtP54300|LUXP_VIBHA Autoinducer 2-binding periplasmic protein LuxP (Gene Name=luxP)

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