Structure of PDB 8pz5 Chain A Binding Site BS01

Receptor Information
>8pz5 Chain A (length=458) Species: 395961 (Cyanothece sp. PCC 7425) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDLFTLSFSPDLSIASEAEQLTLQSKDDRLILEHPQPGLRTALEQLKQGN
LTLAQLTELVSEQDGVEAGITFASELEKLVDLGWICHSVLPLITAIPIAK
DYELNVPDSSWQTTAIALSRFAFLHQDLQQLVLESPRSKSKLVILDWRVG
AVIAKLAQSDRGFIFATSADSLLADLSLELEELKRLFALLIATQMMDLEP
EDETITQWKFHNLLFHHYTRLLPVFEHRDRYPYVKPVISTQAIPLVKPDL
TALATTDMTLTEAIETRRSIREYSDQPITLAQLGEFLYRCARVKAVYTLP
EDPMQVGESTTRPYPSGGALYELEIYPLVHQCGDLAAGLYHYQPLSHTLH
PVADWTPEVESLVYDAWRATGQQSIPQIVLIITARFGRLFWKYHDIAYSL
ILKHVGVLYQTFYLVATAMQLAPSAIGAGNTTKFCQIAGLNPDEEASVGE
FSLGAAKP
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain8pz5 Chain A Residue 901 [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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PDB8pz5 Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		S280 R282 A380 A436 I437 G438
Binding residue
(residue number reindexed from 1)		S269 R271 A369 A425 I426 G427
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:8pz5, PDBe:8pz5, PDBj:8pz5
PDBsum8pz5
PubMed37828292
UniProtB8HTZ1

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