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Structure paper

TitleMobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Journal, issue, pagesBiochemistry, Vol. 53, Page 5272-, Year 2014
Publish dateApr 3, 2014 (structure data deposition date)
AuthorsLi, H. / Jamal, J. / Delker, S.L. / Plaza, C. / Ji, H. / Jing, Q. / Huang, H. / Kang, S. / Silverman, R.B. / Poulos, T.L.
External linksBiochemistry / PubMed:25089924
MethodsX-ray diffraction
Resolution1.8 - 3.16 Å
Structure data

PDB-4cwv:
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL)PENTYL)OXY) PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 2.34 Å

PDB-4cww:
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4-METHYLPYRIDIN-2-YL)PENTYL) OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-4cwx:
ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE COMPLEX1
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-4cwy:
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL) PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-4cwz:
Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-4cx0:
Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4- METHYLPYRIDIN-2-YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4- METHYLPYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4cx1:
Structure of bovine endothelial nitric oxide synthase L111A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-4cx2:
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL) PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-4cx3:
Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL) PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-4cx4:
Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-4cx5:
Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL) PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4cx6:
Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4-METHYLPYRIDIN-2- YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4-METHYLPYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4cx7:
Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE
Method: X-RAY DIFFRACTION / Resolution: 3.16 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE / Heme B

ChemComp-H4B:
5,6,7,8-TETRAHYDROBIOPTERIN / neurotransmitter*YM / Tetrahydrobiopterin

ChemComp-HW8:
4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine

ChemComp-ACT:
ACETATE ION / Acetate

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER / Water

ChemComp-HW9:
4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine

ChemComp-HW0:
6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

ChemComp-CAS:
S-(DIMETHYLARSENIC)CYSTEINE

ChemComp-HW1:
6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine

ChemComp-Q16:
6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-H2B:
2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE

ChemComp-S71:
(R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine

ChemComp-SO4:
SULFATE ION / Sulfate

Source
  • bos taurus (cattle)
  • rattus norvegicus (Norway rat)
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / NITRIC OXIDE SYNTHASE / INHIBITOR COMPLEX

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