Structure of PDB 4n82 Chain B Binding Site BS01

Receptor Information
>4n82 Chain B (length=153) Species: 388919 (Streptococcus sanguinis SK36) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKVSLVYISLSGNTESFVRRLTDYLLEQHPSLEVEKIHIKDLVKERQPFF
EMDNPFIAFLPTYLEGGNGVDNGDVEILTTDVGDFIAYGQNASKCLGVIG
SGNRNFNNQYCLTAKQYSERFGFPVLADFEMRGMLGDIKKVAGIIEELYH
IEK
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 chain4n82 Chain B Residue 201 [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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PDB4n82 Streptococcus sanguinis Class Ib Ribonucleotide Reductase: HIGH ACTIVITY WITH BOTH IRON AND MANGANESE COFACTORS AND STRUCTURAL INSIGHTS.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		S10 L11 S12 N14 T15 P62 T63 Y64 L65 S102 G103 N104 F107 Q110 Y111
Binding residue
(residue number reindexed from 1)		S9 L10 S11 N13 T14 P61 T62 Y63 L64 S101 G102 N103 F106 Q109 Y110
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D54
Catalytic site (residue number reindexed from 1) D53
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0010181 FMN binding
Biological Process
GO:0036211 protein modification process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4n82, PDBe:4n82, PDBj:4n82
PDBsum4n82
PubMed24381172
UniProtA3CR20

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