Structure of PDB 1c2y Chain H Binding Site BS01

Receptor Information
>1c2y Chain H (length=155) Species: 3562 (Spinacia oleracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNELEGYVTKAQSFRFAIVVARFNEFVTRRLMEGALDTFKKYSVNEDIDV
VWVPGAYELGVTAQALGKSGKYHAIVCLGAVVKGDTSHYDAVVNSASSGV
LSAGLNSGVPCVFGVLTCDNMDQAINRAGGKAGNKGAESALTAIEMASLF
EHHLK
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 chain1c2y Chain H Residue 208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1c2y Crystal structure analysis of a pentameric fungal and an icosahedral plant lumazine synthase reveals the structural basis for differences in assembly.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		F23 G55 A56 Y57 E58 A80 V81 V92
Binding residue
(residue number reindexed from 1)		F23 G55 A56 Y57 E58 A80 V81 V92
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H88
Catalytic site (residue number reindexed from 1) H88
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
Biological Process
GO:0009231 riboflavin biosynthetic process
Cellular Component
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:1c2y, PDBe:1c2y, PDBj:1c2y
PDBsum1c2y
PubMed10595538
UniProtQ9XH32|RISB_SPIOL 6,7-dimethyl-8-ribityllumazine synthase, chloroplastic

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