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ID of heme Axial ligands on heme Function & structure
4d37-A-500
sad. -0.49
ruf. -0.60
dom. +0.32
bre. -0.14
CYS chainID: A,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 493.0 Å3
d(Fe-oop): 0.072 Å
9HL chainID: A, resSeq: 800,

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

4d37-B-500
sad. -0.50
ruf. -0.58
dom. +0.36
bre. -0.27
CYS chainID: B,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 494.0 Å3
d(Fe-oop): 0.034 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

4d38-A-500
sad. -0.55
ruf. -0.56
dom. +0.20
bre. -0.10
CYS chainID: A,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 496.0 Å3
d(Fe-oop): 0.080 Å
L5Z chainID: A, resSeq: 800,

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

4d38-B-500
sad. -0.55
ruf. -0.60
dom. +0.31
bre. -0.27
CYS chainID: B,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 514.0 Å3
d(Fe-oop): 0.045 Å
L5Z chainID: B, resSeq: 800,

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

4d39-A-500
sad. -0.49
ruf. -0.81
dom. +0.36
bre. -0.19
CYS chainID: A,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 488.0 Å3
d(Fe-oop): 0.082 Å
OLW chainID: A, resSeq: 800,

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

4d39-B-500
sad. -0.48
ruf. -0.81
dom. +0.29
bre. -0.24
CYS chainID: B,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 491.0 Å3
d(Fe-oop): 0.058 Å
OLW chainID: B, resSeq: 800,

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

4d3a-A-500
sad. -0.42
ruf. -0.38
dom. +0.35
bre. -0.21
CYS chainID: A,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 472.0 Å3
d(Fe-oop): 0.074 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

4d3a-B-500
sad. -0.32
ruf. -0.45
dom. +0.31
bre. -0.31
CYS chainID: B,
resSeq: 186,
molecule: NITRIC OXIDE SYNTHASE, ENDOTHELIAL
oxidoreductase
oligomeric count: 2
pocket vol.: 486.0 Å3
d(Fe-oop): 0.104 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

4d3b-A-750
sad. -0.49
ruf. -0.77
dom. +0.34
bre. -0.19
CYS chainID: A,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 489.0 Å3
d(Fe-oop): 0.132 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

4d3b-B-750
sad. -0.53
ruf. -0.89
dom. +0.46
bre. -0.08
CYS chainID: B,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 503.0 Å3
d(Fe-oop): 0.118 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

4d3i-A-901
sad. -0.32
ruf. -0.56
dom. +0.55
bre. +0.02
CYS chainID: A,
resSeq: 66,
molecule: NITRIC OXIDE SYNTHASE OXYGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 509.0 Å3
d(Fe-oop): 0.202 Å
Not assigned.
4d3j-A-901
sad. -0.35
ruf. -0.59
dom. +0.62
bre. +0.04
CYS chainID: A,
resSeq: 66,
molecule: NITRIC OXIDE SYNTHASE OXYGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 510.0 Å3
d(Fe-oop): 0.256 Å
Not assigned.
4d3k-A-901
sad. -0.30
ruf. -0.63
dom. +0.67
bre. +0.06
CYS chainID: A,
resSeq: 66,
molecule: NITRIC OXIDE SYNTHASE OXYGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 535.0 Å3
d(Fe-oop): 0.192 Å
Not assigned.
4d3k-B-901
sad. -0.29
ruf. -0.69
dom. +0.67
bre. +0.08
CYS chainID: B,
resSeq: 66,
molecule: NITRIC OXIDE SYNTHASE OXYGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 520.0 Å3
d(Fe-oop): 0.192 Å
Not assigned.
4d3m-A-901
sad. -0.24
ruf. -0.54
dom. +0.55
bre. -0.02
CYS chainID: A,
resSeq: 66,
molecule: NITRIC OXIDE SYNTHASE OXYGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 504.0 Å3
d(Fe-oop): 0.266 Å
Not assigned.
4d3n-A-901
sad. -0.30
ruf. -0.60
dom. +0.56
bre. +0.10
CYS chainID: A,
resSeq: 66,
molecule: NITRIC OXIDE SYNTHASE OXYGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 476.0 Å3
d(Fe-oop): 0.196 Å
Not assigned.
4d3o-A-901
sad. -0.40
ruf. -0.54
dom. +0.60
bre. +0.07
CYS chainID: A,
resSeq: 66,
molecule: NITRIC OXIDE SYNTHASE OXYGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 488.0 Å3
d(Fe-oop): 0.213 Å
Not assigned.
4d3t-A-901
sad. -0.34
ruf. -0.30
dom. +0.67
bre. +0.01
CYS chainID: A,
resSeq: 66,
molecule: NITRIC OXIDE SYNTHASE OXYGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 539.0 Å3
d(Fe-oop): 0.264 Å
Not assigned.
4d3u-A-901
sad. -0.37
ruf. -0.37
dom. +0.69
bre. +0.01
CYS chainID: A,
resSeq: 66,
molecule: NITRIC OXIDE SYNTHASE OXYGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 532.0 Å3
d(Fe-oop): 0.225 Å
Not assigned.
4d3v-A-901
sad. -0.39
ruf. -0.31
dom. +0.70
bre. +0.00
CYS chainID: A,
resSeq: 66,
molecule: NITRIC OXIDE SYNTHASE OXYGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 532.0 Å3
d(Fe-oop): 0.255 Å
Not assigned.