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ID of heme Axial ligands on heme Function & structure
4xry-C-601
sad. -0.18
ruf. -0.29
dom. +0.13
bre. -0.20
CYS chainID: C,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 394.0 Å3
d(Fe-oop): 0.023 Å
Not assigned.
4xry-D-601
sad. -0.25
ruf. -0.21
dom. +0.04
bre. -0.20
CYS chainID: D,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 399.0 Å3
d(Fe-oop): 0.193 Å
HOH chainID: D, resSeq: 721,

molecule: water

4xrz-A-601
sad. +0.03
ruf. -0.26
dom. +0.03
bre. -0.22
CYS chainID: A,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 382.0 Å3
d(Fe-oop): 0.050 Å
SI6 chainID: A, resSeq: 602,

molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

4xrz-B-601
sad. +0.08
ruf. -0.15
dom. +0.01
bre. -0.21
CYS chainID: B,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 373.0 Å3
d(Fe-oop): 0.015 Å
SI6 chainID: B, resSeq: 602,

molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

4xrz-C-601
sad. +0.02
ruf. -0.27
dom. +0.07
bre. -0.21
CYS chainID: C,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 395.0 Å3
d(Fe-oop): 0.016 Å
SI6 chainID: C, resSeq: 602,

molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

4xrz-D-601
sad. +0.02
ruf. -0.25
dom. -0.06
bre. -0.22
CYS chainID: D,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 389.0 Å3
d(Fe-oop): 0.029 Å
SI6 chainID: D, resSeq: 602,

molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

4xs0-A-201
sad. +0.04
ruf. -0.02
dom. -0.01
bre. -0.24
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 3
pocket vol.: 516.0 Å3
d(Fe-oop): 0.005 Å
HOH chainID: A, resSeq: 301,

molecule: water

4xs0-B-201
sad. -0.01
ruf. -0.02
dom. -0.03
bre. -0.24
HIS chainID: B,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 3
pocket vol.: 520.0 Å3
d(Fe-oop): 0.010 Å
HOH chainID: B, resSeq: 302,

molecule: water

4xv4-A-301
sad. -0.59
ruf. +0.33
dom. +0.09
bre. -0.23
HIS chainID: A,
resSeq: 175,
molecule: Cytochrome c peroxidase, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 417.0 Å3
d(Fe-oop): 0.000 Å
HOH chainID: A, resSeq: 491,

molecule: water

4xv5-A-301
sad. -0.50
ruf. +0.27
dom. +0.13
bre. -0.01
HIS chainID: A,
resSeq: 175,
molecule: Cytochrome c peroxidase, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 415.0 Å3
d(Fe-oop): 0.053 Å
HOH chainID: A, resSeq: 480,

molecule: water

4xv6-A-301
sad. -0.63
ruf. +0.40
dom. +0.04
bre. -0.13
HIS chainID: A,
resSeq: 175,
molecule: Cytochrome c peroxidase, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 421.0 Å3
d(Fe-oop): 0.031 Å
HOH chainID: A, resSeq: 460,

molecule: water

4xv7-A-301
sad. -0.58
ruf. +0.16
dom. +0.04
bre. -0.14
HIS chainID: A,
resSeq: 175,
molecule: Cytochrome c peroxidase, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 418.0 Å3
d(Fe-oop): 0.029 Å
HOH chainID: A, resSeq: 501,

molecule: water

4xv8-A-301
sad. -0.57
ruf. +0.15
dom. +0.08
bre. -0.19
HIS chainID: A,
resSeq: 175,
molecule: Cytochrome c peroxidase, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 416.0 Å3
d(Fe-oop): 0.043 Å
HOH chainID: A, resSeq: 459,

molecule: water

4xva-A-1201
sad. -0.54
ruf. +0.35
dom. +0.21
bre. +0.34
HIS chainID: A,
resSeq: 175,
molecule: Cytochrome c peroxidase, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 434.0 Å3
d(Fe-oop): 0.046 Å
HOH chainID: A, resSeq: 1343,

molecule: water

4xva-C-1201
sad. -0.42
ruf. +0.29
dom. +0.21
bre. +0.22
HIS chainID: C,
resSeq: 175,
molecule: Cytochrome c peroxidase, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 425.0 Å3
d(Fe-oop): 0.009 Å
HOH chainID: C, resSeq: 1375,

molecule: water

4xva-E-1201
sad. -0.53
ruf. +0.49
dom. +0.38
bre. +0.35
HIS chainID: E,
resSeq: 175,
molecule: Cytochrome c peroxidase, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 442.0 Å3
d(Fe-oop): 0.019 Å
Not assigned.
4xva-G-1201
sad. -0.30
ruf. +0.33
dom. +0.27
bre. +0.26
HIS chainID: G,
resSeq: 175,
molecule: Cytochrome c peroxidase, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 450.0 Å3
d(Fe-oop): 0.019 Å
HOH chainID: G, resSeq: 1309,

molecule: water

4xxl-A-201
sad. +0.29
ruf. -0.77
dom. -0.18
bre. -0.05
HIS chainID: A,
resSeq: 47,
molecule: Cytochrome c class I
electron transporter
oligomeric count: 1
pocket vol.: 405.0 Å3
d(Fe-oop): 0.008 Å
HIS chainID: A, resSeq: 95,

molecule: Cytochrome c class I

4xyd-A-501
sad. +0.00
ruf. +0.66
dom. +0.25
bre. +0.04
HIS chainID: A,
resSeq: 53,
molecule: Nitric-oxide reductase subunit B
oxidoreductase
oligomeric count: 2
pocket vol.: 389.0 Å3
d(Fe-oop): 0.004 Å
HIS chainID: A, resSeq: 336,

molecule: Nitric-oxide reductase subunit B

4xyd-A-504
sad. -0.26
ruf. +1.14
dom. +0.26
bre. +0.01
HIS chainID: A,
resSeq: 334,
molecule: Nitric-oxide reductase subunit B
oxidoreductase
oligomeric count: 2
pocket vol.: 394.0 Å3
d(Fe-oop): 0.014 Å
UNL chainID: A, resSeq: 502,

molecule: UNKNOWN LIGAND