Structure of PDB 1rp0 Chain B Binding Site BS01

Receptor Information
>1rp0 Chain B (length=278) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDLNAFTFDPIKESIVSREMTRRYMTDMITYAETDVVVVGAGSAGLSAAY
EISKNPNVQVAIIEQSVSPGGGAWLGGQLFSAMIVRKPAHLFLDEIGVAY
DEQDTYVVVKHAALFTSTIMSKLLARPNVKLFNAVAAEDLIVKGNRVGGV
VTNWALVAQNHHTQSCMDPNVMEAKIVVSSCGHDGPFGATGVKRLKSIGM
IDHVPGMKALDMNTAEDAIVRLTREVVPGMIVTGMEVAEIDGAPRMGPTF
GAMMISGQKAGQLALKALGLPNAIDGTL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1rp0 Chain B 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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PDB1rp0 Structure of the thiazole biosynthetic enzyme THI1 from Arabidopsis thaliana.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H189 D190
Binding residue
(residue number reindexed from 1)		H183 D184
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.60: cysteine-dependent adenosine diphosphate thiazole synthase.
Gene Ontology
Biological Process
GO:0009228 thiamine biosynthetic process

View graph for
Biological Process
External links
PDB RCSB:1rp0, PDBe:1rp0, PDBj:1rp0
PDBsum1rp0
PubMed16912043
UniProtQ38814|THI4_ARATH Thiamine thiazole synthase, chloroplastic (Gene Name=THI1)

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