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- EMDB-72087: syNOS monomer bound to NADPH -

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Open data


ID or keywords:

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Basic information

Entry
Database: EMDB / ID: EMD-72087
TitlesyNOS monomer bound to NADPH
Map data
Sample
  • Complex: Monomeric syNOS bound to NADPH
    • Protein or peptide: Nitric oxide synthase
  • Ligand: PROTOPORPHYRIN IX CONTAINING FE
  • Ligand: FLAVIN-ADENINE DINUCLEOTIDE
  • Ligand: FLAVIN MONONUCLEOTIDE
  • Ligand: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
KeywordsNOS / FAD / FMN / NADPH / C2 domain / Heme / OXIDOREDUCTASE
Biological speciesSynechococcus sp. PCC 7335 (bacteria)
Methodsingle particle reconstruction / cryo EM / Resolution: 3.09 Å
AuthorsNair D / Crane B
Funding support United States, 1 items
OrganizationGrant numberCountry
National Science Foundation (NSF, United States)MCB 2129729 United States
CitationJournal: To Be Published
Title: Structure and dynamics of a muti-domain nitric oxide synthase regulated by a C2 domain.
Authors: Nair D / Crane B
History
DepositionAug 12, 2025-
Header (metadata) releaseJan 14, 2026-
Map releaseJan 14, 2026-
UpdateJan 14, 2026-
Current statusJan 14, 2026Processing site: RCSB / Status: Released

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Structure visualization

Supplemental images

Downloads & links

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Map

FileDownload / File: emd_72087.map.gz / Format: CCP4 / Size: 476.8 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
Voxel sizeX=Y=Z: 0.73 Å
Density
Contour LevelBy AUTHOR: 0.164
Minimum - Maximum-0.4013825 - 1.0066788
Average (Standard dev.)-0.000059805097 (±0.020646695)
SymmetrySpace group: 1
Details

EMDB XML:

Map geometry
Axis orderXYZ
Origin000
Dimensions500500500
Spacing500500500
CellA=B=C: 365.0 Å
α=β=γ: 90.0 °

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Supplemental data

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Mask #1

Fileemd_72087_msk_1.map
Projections & Slices
AxesZYX

Projections

Slices (1/2)
Density Histograms

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Half map: #2

Fileemd_72087_half_map_1.map
Projections & Slices
AxesZYX

Projections

Slices (1/2)
Density Histograms

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Half map: #1

Fileemd_72087_half_map_2.map
Projections & Slices
AxesZYX

Projections

Slices (1/2)
Density Histograms

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Sample components

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Entire : Monomeric syNOS bound to NADPH

EntireName: Monomeric syNOS bound to NADPH
Components
  • Complex: Monomeric syNOS bound to NADPH
    • Protein or peptide: Nitric oxide synthase
  • Ligand: PROTOPORPHYRIN IX CONTAINING FE
  • Ligand: FLAVIN-ADENINE DINUCLEOTIDE
  • Ligand: FLAVIN MONONUCLEOTIDE
  • Ligand: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

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Supramolecule #1: Monomeric syNOS bound to NADPH

SupramoleculeName: Monomeric syNOS bound to NADPH / type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1
Source (natural)Organism: Synechococcus sp. PCC 7335 (bacteria)

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Macromolecule #1: Nitric oxide synthase

MacromoleculeName: Nitric oxide synthase / type: protein_or_peptide / ID: 1 / Number of copies: 1 / Enantiomer: LEVO
Source (natural)Organism: Synechococcus sp. PCC 7335 (bacteria)
Molecular weightTheoretical: 166.440266 KDa
Recombinant expressionOrganism: Escherichia coli BL21(DE3) (bacteria)
SequenceString: MLVNDSRPTV EAHVLSVVRL VELCASGIPS NNEFKYKANV RVTCSGTEQS NTQLMTRLQP SWLVDIAHPS NCLFTVTLFY RQGGLGQPW HEAGSIKVTT ADLFDKQRSV EISRPVATWP AAPELMLNAR FTCSDHTSQS GEAVSLSLAG TRANASRRPT S LALVSDDS ...String:
MLVNDSRPTV EAHVLSVVRL VELCASGIPS NNEFKYKANV RVTCSGTEQS NTQLMTRLQP SWLVDIAHPS NCLFTVTLFY RQGGLGQPW HEAGSIKVTT ADLFDKQRSV EISRPVATWP AAPELMLNAR FTCSDHTSQS GEAVSLSLAG TRANASRRPT S LALVSDDS IELPEAIPLT YSEAVIVKDV WNKLRAWKEL QMETFFKRLL LEVPELDYIF GEAFESIPDY FFEMFDCCVR EL CPHTENV VWEPMMGVPP EKGDAFDTVA DYGALFADIG MQPQHWLRAR QVWMWMLPQI PYLEEYDRED LAKGNKSALC KFF NTHVIG GMVAARDRYD SALPPALVQK MADSWQYFAP RKNEMGVEFY QTLFERYPQV LPIFGRADMD YLSTHLFQSL EFIF LCLAE GSTERLMKEL RHLGRLHGNA GVPSFAYGAI SEVMISMFEK YVPGFDEQLK EAWQVLIARV SNVIKLPKLN EERLL KKAR EYLDVIANEQ AWEESDRERR WQEIKAEVQA TGTYTHTYEE LAYGAQLAWR NTSKCIGRIQ WSNMVVRDRR HVTDPD EMF QELEEHLRLG TNGGNIQIVM TVFRPKLPKE RWGPRIWNPQ LIRYAAYEMP DGSIMGDAAN LELTHQIIEK MGWQPPE PR SPYDILPLVI EVPRHEPRLY SFAPEEILEV EIEHPTIPDF KTLGLRWYAV PAISNFRMDI GGVTYACLPF NGWYMGTE I ARDFLEGGRY GKMKAIANLL GLNTSSEQTL WRDRVALEMN IAVLHSFQKA KVTMVDHQSA AQQFLAHDLR EKRAGRECP ADYGWVVPPA GGSACPVWHH QMRDFYLEPA YHHAADRWAV EADIDLEQFV QTTHESDHQR DRILILFGSE TGTAEGFARR AARQLSAYH PKVMALDDYN VNTLDEEKLL LVVTSTFGNG EVPGNAQQFT QWLKQQPSDT LNGLNYSVLG IGSTVYEHFC A AGITLDKA LAKAGANSVV PLHKGDEIKG QADTFKRWLS LISRILGADS TSTTPTTSKL KVTYLADSES HALLNLEAEH SH SRVPVLT NQELLKAVTP GSRSTRYLLF DTAKTEIAYE TGDHVSVHPH NPEELVLRVC DRLSLSPDTA FSAKYVLPDG RQL EDEPPI AVPTTVGQAL TEDLDLAFKE PFGELLNVLH QAAENTEEKI RLETWLEILA LEDGHEENAA LRKMLRDNFM SVAD LFDEF PSAQITLEML LEVLPKEKPR LYSISSCPQL QPGKLQITVG VLQIQTDAGK TRQGLCSNYL AGLSEGDLVR IETHT SDFR PPNDPSAPLL MVGPGTGISP LIAFLQHREY LNSQGIPLGK ATLYTGCRNH DDFLYEDQLR VWLEQGTLTD LQVAFS RLT AQKVYVQNLM QDNARSLWQQ LSHSQCHYYV CGDAKMADNV FEVFMQIAKT EGGLTHLEAV DFFNRMKSEK RFSTDVW GV TLNFKQAIKQ VEKDNYARAE KWLANL

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Macromolecule #2: PROTOPORPHYRIN IX CONTAINING FE

MacromoleculeName: PROTOPORPHYRIN IX CONTAINING FE / type: ligand / ID: 2 / Number of copies: 2 / Formula: HEM
Molecular weightTheoretical: 616.487 Da
Chemical component information

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

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Macromolecule #3: FLAVIN-ADENINE DINUCLEOTIDE

MacromoleculeName: FLAVIN-ADENINE DINUCLEOTIDE / type: ligand / ID: 3 / Number of copies: 1 / Formula: FAD
Molecular weightTheoretical: 785.55 Da
Chemical component information

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

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Macromolecule #4: FLAVIN MONONUCLEOTIDE

MacromoleculeName: FLAVIN MONONUCLEOTIDE / type: ligand / ID: 4 / Number of copies: 1 / Formula: FMN
Molecular weightTheoretical: 456.344 Da
Chemical component information

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

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Macromolecule #5: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

MacromoleculeName: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / type: ligand / ID: 5 / Number of copies: 1 / Formula: NAP
Molecular weightTheoretical: 743.405 Da
Chemical component information

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

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Experimental details

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Structure determination

Methodcryo EM
Processingsingle particle reconstruction
Aggregation stateparticle

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Sample preparation

BufferpH: 7.5
VitrificationCryogen name: ETHANE

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Electron microscopy

MicroscopeTFS KRIOS
Image recordingFilm or detector model: FEI FALCON IV (4k x 4k) / Average electron dose: 44.95 e/Å2
Electron beamAcceleration voltage: 300 kV / Electron source: FIELD EMISSION GUN
Electron opticsIllumination mode: OTHER / Imaging mode: BRIGHT FIELD / Nominal defocus max: 2.2 µm / Nominal defocus min: 0.4 µm
Sample stageSpecimen holder model: FEI TITAN KRIOS AUTOGRID HOLDER / Cooling holder cryogen: NITROGEN
Experimental equipment
Model: Titan Krios / Image courtesy: FEI Company

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Image processing

CTF correctionType: PHASE FLIPPING AND AMPLITUDE CORRECTION
Startup modelType of model: INSILICO MODEL
Final reconstructionResolution.type: BY AUTHOR / Resolution: 3.09 Å / Resolution method: FSC 0.143 CUT-OFF / Software - Name: cryoSPARC / Number images used: 45964
Initial angle assignmentType: RANDOM ASSIGNMENT
Final angle assignmentType: MAXIMUM LIKELIHOOD

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