Structure of PDB 6zk8 Chain O Binding Site BS03

Receptor Information
>6zk8 Chain O (length=410) Species: 2186 (Methanothermococcus thermolithotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKADAVKIADGVYWVGVLDWDIRMYHGYTLNGTTYNAYLVFGDDKVALID
NTYPGTSAQMWGRIKDACEKEGREFKIDVIVQNHVEKDHSGALPEIHKKF
PEAPIYCTEVAVEGLVKHFPSLKGAPFKVVKSLESIDLGGKTLTFLEAPL
LHWPDSMFTLYAEEGILFSNDAFGQHLCFTQRFDHEIPENILMDANQKFY
ANLITPLSKLVLKKFKEVIELGLLEKIKMIAPSHGQIWTDPMKVIGAYQD
FATGKCKDKVTIVYDTMHGSTQKMAHAFAEGIMSEGVDVKMYFLHNDERS
EIVKDILDSKAFLLGAPTIYDEPFPSVGDLIYYLKGLKFNRTGLKRLALA
FGSMGGNGGGTKVLAEKLKECGFEVLDEYELYYVPTEDELEKCYNMGKRL
AVKVKEMKTE
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 chain6zk8 Chain O Residue 511 [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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PDB6zk8 Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		H26 E86 W153
Binding residue
(residue number reindexed from 1)		H26 E86 W153
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6zk8, PDBe:6zk8, PDBj:6zk8
PDBsum6zk8
PubMed32940290
UniProtA0A452CSW8

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