Structure of PDB 1c41 Chain D Binding Site BS01

Receptor Information
>1c41 Chain D (length=165) Species: 148305 (Pyricularia grisea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPTPQQHDGSALRIGIVHARWNETIIEPLLAGTKAKLLACGVKESNIVVQ
SVPGSWELPIAVQRLYSASQLQSTGPFDALIAIGVLIKGETMHFEYIADS
VSHGLMRVQLDTGVPVIFGVLTVLTDDQAKARAGVIEGSHNHGEDWGLAA
VEMGVRRRDWAAGKT
Ligand information
Ligand IDLMZ
InChIInChI=1S/C9H14N4O7/c14-2-4(16)6(17)3(15)1-10-7-5(13-20)8(18)12-9(19)11-7/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19)/t3-,4+,6-/m0/s1
InChIKeyYMWIHKCBRFEJMH-RPDRRWSUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CNC1=C(N=O)C(=O)NC(=O)N1
ACDLabs 10.04O=C1NC(NCC(O)C(O)C(O)CO)=C(N=O)C(=O)N1
OpenEye OEToolkits 1.5.0C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@@H](O)CNC1=C(N=O)C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O
FormulaC9 H14 N4 O7
Name5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE
ChEMBL
DrugBankDB04128
ZINCZINC000003871157
PDB chain1c41 Chain D Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1c41 Crystal structure analysis of a pentameric fungal and an icosahedral plant lumazine synthase reveals the structural basis for differences in assembly
Resolution3.1 Å
Binding residue
(original residue number in PDB)		W25 G58 S59 W60 E61 V119 L120 H127 I131
Binding residue
(residue number reindexed from 1)		W21 G54 S55 W56 E57 V85 L86 H93 I97
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H127
Catalytic site (residue number reindexed from 1) H93
Enzyme Commision number 2.5.1.78: 6,7-dimethyl-8-ribityllumazine synthase.
Gene Ontology
Molecular Function
GO:0000906 6,7-dimethyl-8-ribityllumazine synthase activity
GO:0016740 transferase activity
Biological Process
GO:0009231 riboflavin biosynthetic process
Cellular Component
GO:0005758 mitochondrial intermembrane space
GO:0009349 riboflavin synthase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1c41, PDBe:1c41, PDBj:1c41
PDBsum1c41
PubMed10595538
UniProtQ9UVT8|RIB4_PYRO7 6,7-dimethyl-8-ribityllumazine synthase (Gene Name=MGG_04626)

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