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ID of heme Axial ligands on heme Function & structure
4uur-A-700
sad. -0.30
ruf. +0.65
dom. -0.02
bre. +0.10
HIS chainID: A,
resSeq: 96,
molecule: PUTATIVE HEMOGLOBIN-LIKE OXYGEN-BINDING PROTEIN
oxygen carrier
oligomeric count: 1
pocket vol.: 498.0 Å3
d(Fe-oop): 0.002 Å
HOH chainID: A, resSeq: 2026,

molecule: water

4uur-B-700
sad. -0.30
ruf. +0.70
dom. +0.02
bre. +0.05
HIS chainID: B,
resSeq: 96,
molecule: PUTATIVE HEMOGLOBIN-LIKE OXYGEN-BINDING PROTEIN
oxygen carrier
oligomeric count: 1
pocket vol.: 497.0 Å3
d(Fe-oop): 0.010 Å
HOH chainID: B, resSeq: 2023,

molecule: water

4uvr-A-1450
sad. -0.06
ruf. -0.53
dom. +0.10
bre. +0.22
CYS chainID: A,
resSeq: 422,
molecule: STEROL 14-DEMETHYLASE, CYP51
oxidoreductase
oligomeric count: 2
pocket vol.: 472.0 Å3
d(Fe-oop): 0.047 Å
J5Y chainID: A, resSeq: 1477,

molecule: Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide

4ux6-B-1497
sad. +0.20
ruf. -0.54
dom. +0.09
bre. -0.15
CYS chainID: B,
resSeq: 194,
molecule: NITRIC OXIDE SYNTHASE, INDUCIBLE
oxidoreductase
oligomeric count: 4
pocket vol.: 530.0 Å3
d(Fe-oop): 0.007 Å
Not assigned.
4uyl-A-580
sad. +0.06
ruf. -0.39
dom. -0.05
bre. +0.38
CYS chainID: A,
resSeq: 463,
molecule: 14-ALPHA STEROL DEMETHYLASE
oxidoreductase
oligomeric count: 1
pocket vol.: 468.0 Å3
d(Fe-oop): 0.029 Å
VNI chainID: A, resSeq: 590,

molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

4uyl-B-580
sad. -0.07
ruf. -0.24
dom. +0.13
bre. +0.27
CYS chainID: B,
resSeq: 463,
molecule: 14-ALPHA STEROL DEMETHYLASE
oxidoreductase
oligomeric count: 1
pocket vol.: 501.0 Å3
d(Fe-oop): 0.010 Å
VNI chainID: B, resSeq: 590,

molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

4uym-A-580
sad. -0.07
ruf. -0.50
dom. +0.03
bre. +0.44
CYS chainID: A,
resSeq: 463,
molecule: 14-ALPHA STEROL DEMETHYLASE
oxidoreductase
oligomeric count: 1
pocket vol.: 510.0 Å3
d(Fe-oop): 0.030 Å
VOR chainID: A, resSeq: 590,

molecule: Voriconazole

4uym-B-580
sad. -0.07
ruf. -0.40
dom. +0.03
bre. +0.29
CYS chainID: B,
resSeq: 463,
molecule: 14-ALPHA STEROL DEMETHYLASE
oxidoreductase
oligomeric count: 1
pocket vol.: 469.0 Å3
d(Fe-oop): 0.014 Å
VOR chainID: B, resSeq: 590,

molecule: Voriconazole

4uzi-A-1449
sad. +0.25
ruf. -0.41
dom. +0.03
bre. -0.03
HIS chainID: A,
resSeq: 304,
molecule: DYE-DECOLORIZING PEROXIDASE
oxidoreductase
oligomeric count: 2
pocket vol.: 404.0 Å3
d(Fe-oop): 0.007 Å
IMD chainID: A, resSeq: 1454,

molecule: IMIDAZOLE

4uzi-B-1449
sad. +0.11
ruf. -0.33
dom. -0.03
bre. -0.03
HIS chainID: B,
resSeq: 304,
molecule: DYE-DECOLORIZING PEROXIDASE
oxidoreductase
oligomeric count: 2
pocket vol.: 396.0 Å3
d(Fe-oop): 0.004 Å
IMD chainID: B, resSeq: 1455,

molecule: IMIDAZOLE

4uzv-A-1157
sad. +0.14
ruf. +0.74
dom. -0.23
bre. -0.08
HIS chainID: A,
resSeq: 106,
molecule: HEMOGLOBIN
oxygen carrier
oligomeric count: 2
pocket vol.: 495.0 Å3
d(Fe-oop): 0.029 Å
ACT chainID: A, resSeq: 1160,

molecule: ACETATE ION

4v2k-A-600
sad. +0.43
ruf. -0.76
dom. -0.10
bre. -0.05
HIS chainID: A,
resSeq: 191,
molecule: THIOSULFATE DEHYDROGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 350.0 Å3
d(Fe-oop): 0.002 Å
MET chainID: A, resSeq: 236,

molecule: THIOSULFATE DEHYDROGENASE

4v2k-A-601
sad. +0.19
ruf. -0.35
dom. -0.10
bre. -0.06
HIS chainID: A,
resSeq: 80,
molecule: THIOSULFATE DEHYDROGENASE
oxidoreductase
oligomeric count: 2
pocket vol.: 477.0 Å3
d(Fe-oop): 0.026 Å
CSS chainID: A, resSeq: 123,

molecule: THIOSULFATE DEHYDROGENASE

4v3u-A-750
sad. -0.49
ruf. -0.67
dom. +0.31
bre. -0.20
CYS chainID: A,
resSeq: 420,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 4
pocket vol.: 497.0 Å3
d(Fe-oop): 0.049 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

4v3u-B-750
sad. -0.51
ruf. -0.80
dom. +0.27
bre. -0.16
CYS chainID: B,
resSeq: 420,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 4
pocket vol.: 498.0 Å3
d(Fe-oop): 0.163 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

4v3u-C-750
sad. -0.55
ruf. -0.94
dom. +0.32
bre. -0.11
CYS chainID: C,
resSeq: 420,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 4
pocket vol.: 514.0 Å3
d(Fe-oop): 0.006 Å
EG8 chainID: C, resSeq: 800,

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

4v3u-D-750
sad. -0.59
ruf. -0.89
dom. +0.39
bre. -0.18
CYS chainID: D,
resSeq: 420,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 4
pocket vol.: 509.0 Å3
d(Fe-oop): 0.004 Å
EG8 chainID: D, resSeq: 800,

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

4v3v-A-750
sad. -0.48
ruf. -0.75
dom. +0.31
bre. -0.01
CYS chainID: A,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 501.0 Å3
d(Fe-oop): 0.008 Å
S8F chainID: A, resSeq: 800,

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

4v3v-B-750
sad. -0.54
ruf. -0.65
dom. +0.41
bre. +0.08
CYS chainID: B,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 523.0 Å3
d(Fe-oop): 0.013 Å
S8F chainID: B, resSeq: 800,

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

4v3w-A-750
sad. -0.42
ruf. -0.80
dom. +0.28
bre. +0.04
CYS chainID: A,
resSeq: 415,
molecule: NITRIC OXIDE SYNTHASE, BRAIN
oxidoreductase
oligomeric count: 2
pocket vol.: 484.0 Å3
d(Fe-oop): 0.003 Å
E2Z chainID: A, resSeq: 800,

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