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ID of heme Axial ligands on heme Function & structure
3jt7-B-750
sad. -0.60
ruf. -0.70
dom. +0.59
bre. -0.13
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 541.0 Å3
d(Fe-oop): 0.281 Å
JM5 chainID: B, resSeq: 800,

molecule: N~5~-[2-(propylsulfanyl)ethanimidoyl]-L-ornithine

3jt8-A-750
sad. -0.61
ruf. -0.87
dom. +0.46
bre. -0.18
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 517.0 Å3
d(Fe-oop): 0.271 Å
JM4 chainID: A, resSeq: 800,

molecule: N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine

3jt8-B-750
sad. -0.61
ruf. -0.65
dom. +0.59
bre. -0.12
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 545.0 Å3
d(Fe-oop): 0.278 Å
JM4 chainID: B, resSeq: 800,

molecule: N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine

3jt9-A-750
sad. -0.51
ruf. -0.89
dom. +0.43
bre. -0.22
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 503.0 Å3
d(Fe-oop): 0.207 Å
JM7 chainID: A, resSeq: 800,

molecule: N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine

3jt9-B-750
sad. -0.48
ruf. -0.96
dom. +0.55
bre. -0.09
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 536.0 Å3
d(Fe-oop): 0.257 Å
JM7 chainID: B, resSeq: 800,

molecule: N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine

3jta-A-750
sad. -0.50
ruf. -0.62
dom. +0.51
bre. -0.18
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 519.0 Å3
d(Fe-oop): 0.421 Å
Not assigned.
3jta-B-750
sad. -0.51
ruf. -0.63
dom. +0.61
bre. -0.07
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 532.0 Å3
d(Fe-oop): 0.337 Å
Not assigned.
3jus-A-601
sad. +0.10
ruf. -0.33
dom. +0.22
bre. -0.26
ECL chainID: A,
resSeq: 600,
molecule: 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
oxidoreductase
oligomeric count: 2
pocket vol.: 427.0 Å3
d(Fe-oop): 0.008 Å
ECN chainID: A, resSeq: 602,

molecule: 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE

3jus-B-601
sad. +0.18
ruf. -0.37
dom. +0.20
bre. -0.21
ECL chainID: B,
resSeq: 600,
molecule: 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
oxidoreductase
oligomeric count: 2
pocket vol.: 426.0 Å3
d(Fe-oop): 0.017 Å
ECN chainID: B, resSeq: 602,

molecule: 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE

3juv-A-601
sad. -0.36
ruf. +0.10
dom. -0.00
bre. -0.18
CYS chainID: A,
resSeq: 449,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 2
pocket vol.: 465.0 Å3
d(Fe-oop): 0.011 Å
Not assigned.
3jws-A-750
sad. -0.52
ruf. -0.56
dom. +0.35
bre. -0.16
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 537.0 Å3
d(Fe-oop): 0.419 Å
Not assigned.
3jws-B-750
sad. -0.52
ruf. -0.53
dom. +0.47
bre. -0.13
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 522.0 Å3
d(Fe-oop): 0.418 Å
Not assigned.
3jwt-A-750
sad. -0.46
ruf. -0.67
dom. +0.44
bre. -0.19
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 548.0 Å3
d(Fe-oop): 0.392 Å
Not assigned.
3jwt-B-750
sad. -0.40
ruf. -0.59
dom. +0.60
bre. -0.23
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 558.0 Å3
d(Fe-oop): 0.368 Å
Not assigned.
3jwu-A-750
sad. -0.52
ruf. -0.46
dom. +0.38
bre. -0.18
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 520.0 Å3
d(Fe-oop): 0.388 Å
Not assigned.
3jwu-B-750
sad. -0.41
ruf. -0.49
dom. +0.40
bre. -0.15
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 517.0 Å3
d(Fe-oop): 0.375 Å
Not assigned.
3jwv-A-750
sad. -0.46
ruf. -0.64
dom. +0.38
bre. -0.24
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 549.0 Å3
d(Fe-oop): 0.398 Å
Not assigned.
3jwv-B-750
sad. -0.44
ruf. -0.51
dom. +0.44
bre. -0.11
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 545.0 Å3
d(Fe-oop): 0.397 Å
Not assigned.
3jww-A-500
sad. -0.51
ruf. -0.45
dom. +0.44
bre. +0.10
CYS chainID: A,
resSeq: 186,
molecule: Nitric oxide synthase, endothelial
oxidoreductase
oligomeric count: 2
pocket vol.: 529.0 Å3
d(Fe-oop): 0.336 Å
Not assigned.
3jww-B-500
sad. -0.39
ruf. -0.20
dom. +0.46
bre. -0.00
CYS chainID: B,
resSeq: 186,
molecule: Nitric oxide synthase, endothelial
oxidoreductase
oligomeric count: 2
pocket vol.: 532.0 Å3
d(Fe-oop): 0.395 Å
Not assigned.