Structure of PDB 8c05 Chain A Binding Site BS01

Receptor Information
>8c05 Chain A (length=305) Species: 2051956 (Methylotenera sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYLLEAIVRDARDGITISDCSRPDNPLVFVNDAFTRMTGYDAEEVIGKNC
RFLQRGDINLSAVHTIKIAMLTHEPCLVTLKNYRKDGTIFWNELSLTPII
NKNGLITHYLGIQKDVSAQVILNQTLHEENSNKEMLEYLVNIDALTGLHN
RRFLEDQLVIQWKLASRHINTITIFMIDIDYFKAFNDTYGHTAGDEALRT
IAKTLNNCFMRGSDFVARYGGEEFTILAIGMTELQAHEYSTKLVQKIENL
NIHHKGSPLGHLTISLGYSQANPQYHNDQNLVIEQADRALYSAKVEGKNR
AVAYR
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 chain8c05 Chain A Residue 401 [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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PDB8c05 Illuminating the inner workings of a natural protein switch: Blue-light sensing in LOV-activated diguanylate cyclases.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T19 S21 N52 C53 R54 L56 Q57 V66 M73 L83 N85 N95 L97 L99 Q116
Binding residue
(residue number reindexed from 1)		T16 S18 N49 C50 R51 L53 Q54 V63 M70 L80 N82 N92 L94 L96 Q113
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.65: diguanylate cyclase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding
GO:0052621 diguanylate cyclase activity
Biological Process
GO:0043709 cell adhesion involved in single-species biofilm formation
GO:1902201 negative regulation of bacterial-type flagellum-dependent cell motility
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8c05, PDBe:8c05, PDBj:8c05
PDBsum8c05
PubMed37531459
UniProtA0A2S5LZS0

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