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PyDISH No: 10065

PDB: 4v3z,
chainID: A, resSeq: 750
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.052 Å

axial ligand #1: CYS

chainID: A,
resSeq: 415,
Coordination distance[Å]: 2.483
molecule: NITRIC OXIDE SYNTHASE, BRAIN
EC number: 1.14.13.39
Organism: RATTUS NORVEGICUS

axial ligand #2: 9HL

chainID: A,
resSeq: 800,
Coordination distance[Å]: 2.306
molecule: N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine

List of other hemes in pdb:4v3z

ID of heme Distortion Axial ligands on heme Function & structure
4v3z-B-750
sad. -0.63
ruf. -0.76
dom. +0.40
bre. +0.04
CYS chainID: B,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 515.0 Å3
d(Fe-oop): 0.096 Å
9HL chainID: B, resSeq: 800,
molecule: N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine