Structure of PDB 5lq4 Chain A Binding Site BS02

Receptor Information
>5lq4 Chain A (length=457) Species: 395961 (Cyanothece sp. PCC 7425) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLFTLSFSPDLSIASEAEQLTLQSKDDRLILEHPQPGLRTALEQLKQGNL
TLAQLTELVSEQDGVEAGITFASELEKLVDLGWICHSVLPLITAIPIAKD
YELNVPDSSWQTTAIALSRFAFLHQDLQQLVLESPRSKSKLVILDWRVGA
VIAKLAQSDRGFIFATSADSLLADLSLELEELKRLFALLIATQMMDLEPE
DETITQWKFHNLLFHHYTRLLPVFEHRDRYPYVKPVISTQAIPLVKPDLT
ALATTDMTLTEAIETRRSIREYSDQPITLAQLGEFLYRCARVKAVYTLPE
DPMQVGESTTRPYPSGGALYELEIYPLVHQCGDLAAGLYHYQPLSHTLHP
VADWTPEVESLVYDAWRATGQQSIPQIVLIITARFGRLFWKYHDIAYSLI
LKHVGVLYQTFYLVATAMQLAPSAIGAGNTTKFCQIAGLNPDEEASVGEF
SLGAAKP
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 chain5lq4 Chain B 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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PDB5lq4 Structure of the cyanobactin oxidase ThcOx from Cyanothece sp. PCC 7425, the first structure to be solved at Diamond Light Source beamline I23 by means of S-SAD.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		P326 S327 G328 L411 H415
Binding residue
(residue number reindexed from 1)		P314 S315 G316 L399 H403
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:5lq4, PDBe:5lq4, PDBj:5lq4
PDBsum5lq4
PubMed27841750
UniProtB8HTZ1

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