Structure of PDB 1kzl Chain A Binding Site BS01

Receptor Information
>1kzl Chain A (length=202) Species: 4896 (Schizosaccharomyces pombe) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFTGLVEAIGVVKDVQGTIDNGFAMKIEAPQILDDCHTGDSIAVNGTCLT
VTDFDRYHFTVGIAPESLRLTNLGQCKAGDPVNLERAVLSSTRMGGHFVQ
GHVDTVAEIVEKKQDGEAIDFTFRPRDPFVLKYIVYKGYIALDGTSLTIT
HVDDSTFSIMMISYTQSKVIMAKKNVGDLVNVEVDQIGKYTEKLVEAHIA
DW
Ligand information
Ligand IDCRM
InChIInChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1
InChIKeyPTYCEIBBGGLADD-PJKMHFRUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CN1C(=O)C(=NC2=C1NC(=O)NC2=O)CCC(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O
OpenEye OEToolkits 1.5.0C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=O)C(=NC2=C1NC(=O)NC2=O)CCC(O)=O
ACDLabs 10.04O=C1NC(=O)NC=2N(C(=O)C(=NC1=2)CCC(=O)O)CC(O)C(O)C(O)CO
FormulaC14 H18 N4 O9
Name3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID;
CARBOXYETHYLLUMAZINE
ChEMBL
DrugBankDB03883
ZINCZINC000012504250
PDB chain1kzl Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kzl Studies on the Reaction Mechanism of Riboflavin Synthase; X-Ray Crystal Structure of a Complex with 6-Carboxyethyl-7-Oxo-8-Ribityllumazine
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G4 L5 V6 Y139 T145 S146 L147 T148 M160 M161 I162 Y164 T165
Binding residue
(residue number reindexed from 1)		G4 L5 V6 Y139 T145 S146 L147 T148 M160 M161 I162 Y164 T165
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F2 S41 C48 T50 A64 H102 T148
Catalytic site (residue number reindexed from 1) F2 S41 C48 T50 A64 H102 T148
Enzyme Commision number 2.5.1.9: riboflavin synthase.
Gene Ontology
Molecular Function
GO:0004746 riboflavin synthase activity
GO:0016740 transferase activity
Biological Process
GO:0009231 riboflavin biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kzl, PDBe:1kzl, PDBj:1kzl
PDBsum1kzl
PubMed12377123
UniProtQ9Y7P0|RISA_SCHPO Riboflavin synthase (Gene Name=rib5)

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