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ID of heme Axial ligands on heme Function & structure
4d1p-A-500
sad. -0.48
ruf. -0.69
dom. +0.48
bre. -0.20
CYS chainID: A,
resSeq: 184,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 534.0 Å3
d(Fe-oop): 0.369 Å
Not assigned.
4d1p-B-500
sad. -0.47
ruf. -0.77
dom. +0.50
bre. -0.17
CYS chainID: B,
resSeq: 184,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 516.0 Å3
d(Fe-oop): 0.370 Å
Not assigned.
4d2y-A-750
sad. -0.53
ruf. -0.69
dom. +0.20
bre. -0.19
CYS chainID: A,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 499.0 Å3
d(Fe-oop): 0.060 Å
L5Z chainID: A, resSeq: 800,

molecule: (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine

4d2y-B-750
sad. -0.55
ruf. -0.74
dom. +0.30
bre. -0.11
CYS chainID: B,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 523.0 Å3
d(Fe-oop): 0.061 Å
L5Z chainID: B, resSeq: 800,

molecule: (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine

4d2z-A-750
sad. -0.57
ruf. -0.81
dom. +0.18
bre. -0.22
CYS chainID: A,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 493.0 Å3
d(Fe-oop): 0.070 Å
K9L chainID: A, resSeq: 800,

molecule: (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine

4d2z-B-750
sad. -0.60
ruf. -0.69
dom. +0.34
bre. -0.14
CYS chainID: B,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 524.0 Å3
d(Fe-oop): 0.016 Å
K9L chainID: B, resSeq: 800,

molecule: (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine

4d30-A-750
sad. -0.58
ruf. -0.95
dom. +0.21
bre. -0.12
CYS chainID: A,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 500.0 Å3
d(Fe-oop): 0.065 Å
EG8 chainID: A, resSeq: 800,

molecule: N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine

4d30-B-750
sad. -0.54
ruf. -0.83
dom. +0.42
bre. -0.01
CYS chainID: B,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 526.0 Å3
d(Fe-oop): 0.068 Å
EG8 chainID: B, resSeq: 800,

molecule: N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine

4d31-A-750
sad. -0.55
ruf. -0.71
dom. +0.21
bre. -0.31
CYS chainID: A,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 511.0 Å3
d(Fe-oop): 0.123 Å
OLW chainID: A, resSeq: 800,

molecule: 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile

4d31-B-750
sad. -0.56
ruf. -0.73
dom. +0.44
bre. -0.26
CYS chainID: B,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 532.0 Å3
d(Fe-oop): 0.007 Å
OLW chainID: B, resSeq: 800,

molecule: 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile

4d32-A-750
sad. -0.55
ruf. -0.67
dom. +0.26
bre. -0.19
CYS chainID: A,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 521.0 Å3
d(Fe-oop): 0.185 Å
7F5 chainID: A, resSeq: 800,

molecule: 3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine

4d32-B-750
sad. -0.54
ruf. -0.69
dom. +0.47
bre. -0.06
CYS chainID: B,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 542.0 Å3
d(Fe-oop): 0.029 Å
7F5 chainID: B, resSeq: 800,

molecule: 3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine

4d33-A-500
sad. -0.44
ruf. -0.80
dom. +0.35
bre. -0.08
CYS chainID: A,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 477.0 Å3
d(Fe-oop): 0.033 Å
6J0 chainID: A, resSeq: 800,

molecule: N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine

4d33-B-500
sad. -0.41
ruf. -0.79
dom. +0.26
bre. -0.09
CYS chainID: B,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 456.0 Å3
d(Fe-oop): 0.123 Å
6J0 chainID: B, resSeq: 800,

molecule: N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine

4d34-A-500
sad. -0.36
ruf. -0.48
dom. +0.29
bre. +0.18
CYS chainID: A,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 497.0 Å3
d(Fe-oop): 0.008 Å
E2Z chainID: A, resSeq: 800,

molecule: 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine

4d34-B-500
sad. -0.30
ruf. -0.45
dom. +0.24
bre. +0.10
CYS chainID: B,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 482.0 Å3
d(Fe-oop): 0.021 Å
E2Z chainID: B, resSeq: 800,

molecule: 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine

4d35-A-500
sad. -0.53
ruf. -0.57
dom. +0.33
bre. +0.18
CYS chainID: A,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 484.0 Å3
d(Fe-oop): 0.004 Å
4E8 chainID: A, resSeq: 800,

molecule: 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine

4d35-B-500
sad. -0.43
ruf. -0.70
dom. +0.28
bre. -0.08
CYS chainID: B,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 498.0 Å3
d(Fe-oop): 0.002 Å
4E8 chainID: B, resSeq: 800,

molecule: 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine

4d36-A-500
sad. -0.53
ruf. -0.60
dom. +0.28
bre. -0.12
CYS chainID: A,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 506.0 Å3
d(Fe-oop): 0.056 Å
HLW chainID: A, resSeq: 800,

molecule: 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine

4d36-B-500
sad. -0.55
ruf. -0.61
dom. +0.25
bre. -0.21
CYS chainID: B,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 508.0 Å3
d(Fe-oop): 0.025 Å
HLW chainID: B, resSeq: 800,

molecule: 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine