Structure of PDB 3a8t Chain A Binding Site BS02

Receptor Information
>3a8t Chain A (length=289) Species: 3486 (Humulus lupulus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKEKLLVLMGATGTGKSRLSIDLAAHFPLEVINSDKMQVYKGLDITTNKI
SVPDRGGVPHHLLGEVDPARGELTPADFRSLAGKAVSEITGRRKLPVLVG
GSNSFIHALLVDRFDSSGPELRYDCCFLWVDVSVKVLTDYLAKRVDDMLE
LGMFDELAEFYSPEDEDHDEDSATRTGLRKAIGVPEFDRYFEKFRPGDVE
GEDPGRDRVRRGAFEEAVRAIKENTCHLAKRQIGKILRLKGAGWDLRRLD
ATESFRAAMTSDSGEKCTEIWEKQVLEPSVKIVSRFLDE
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3a8t Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a8t Crystal structure and substrate specificity of plant adenylate isopentenyltransferase from Humulus lupulus: distinctive binding affinity for purine and pyrimidine nucleotides
Resolution2.37 Å
Binding residue
(original residue number in PDB)		G40 G42 K43 S44
Binding residue
(residue number reindexed from 1)		G13 G15 K16 S17
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.112: adenylate dimethylallyltransferase (ADP/ATP-dependent).
2.5.1.27: adenylate dimethylallyltransferase (AMP-dependent).
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0009824 AMP dimethylallyltransferase activity
GO:0016740 transferase activity
GO:0052381 tRNA dimethylallyltransferase activity
GO:0052622 ATP/ADP dimethylallyltransferase activity
Biological Process
GO:0006400 tRNA modification
GO:0009691 cytokinin biosynthetic process
GO:0034265 isopentenyl adenine biosynthetic process
Cellular Component
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3a8t, PDBe:3a8t, PDBj:3a8t
PDBsum3a8t
PubMed20007608
UniProtQ5GHF7|IPT_HUMLU Adenylate isopentenyltransferase (Gene Name=AIPT)

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