Structure of PDB 4d02 Chain A Binding Site BS01

Receptor Information
>4d02 Chain A (length=399) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIVVKNNIHWVGQRDWEVRDFHGTEYKTLRGSSYNSYLIREEKNVLIDTV
DHKFSREFVQNLRNEIDLADIDYIVINHAEEDHAGALTELMAQIPDTPIY
CTANAIDSINGHHHHPEWNFNVVKTGDTLDIGNGKQLIFVETPMLHWPDS
MMTYLTGDAVLFSNDAFGQHYCDEHLFNDEVDQTELFEQCQRYYANILTP
FSRLVTPKITEILGFNLPVDMIATSHGVVWRDNPTQIVELYLKWAADYQE
DRITIFYDTMSNNTRMMADAIAQGIAETDPRVAVKIFNVARSDKNEILTN
VFRSKGVLVGTSTMNNVMMPKIAGLVEEMTGLRFRNKRASAFGSHGWSGG
AVDRLSTRLQDAGFEMSLSLKAKWRPDQDALKLCREHGREIARQWALAP
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 chain4d02 Chain A Residue 482 [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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PDB4d02 Structure of Escherichia Coli Flavodiiron Nitric Oxide Reductase.
Resolution1.755 Å
Binding residue
(original residue number in PDB)		T260 M261 S262 N264 T265 S313 T314 M315 N316 N317 S345 H346 G347 W348 G350 W375
Binding residue
(residue number reindexed from 1)		T259 M260 S261 N263 T264 S312 T313 M314 N315 N316 S344 H345 G346 W347 G349 W374
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H23 H79 E81 D83 H147 D166 Y194 H227
Catalytic site (residue number reindexed from 1) H22 H78 E80 D82 H146 D165 Y193 H226
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016661 oxidoreductase activity, acting on other nitrogenous compounds as donors
GO:0016966 nitric oxide reductase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0046210 nitric oxide catabolic process
GO:0071731 response to nitric oxide
Cellular Component
GO:0005737 cytoplasm
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4d02, PDBe:4d02, PDBj:4d02
PDBsum4d02
PubMed27725182
UniProtQ46877|NORV_ECOLI Anaerobic nitric oxide reductase flavorubredoxin (Gene Name=norV)

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