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ID of heme Axial ligands on heme Function & structure
4xdi-A-201
sad. -0.70
ruf. -0.79
dom. -0.05
bre. -0.05
LYS chainID: A,
resSeq: 53,
molecule: Chlamydomonas reinhardtii THB1
oxidoreductase
oligomeric count: 1
pocket vol.: 455.0 Å3
d(Fe-oop): 0.012 Å
HIS chainID: A, resSeq: 77,

molecule: Chlamydomonas reinhardtii THB1

4xdi-B-201
sad. -0.69
ruf. -0.70
dom. +0.02
bre. -0.19
LYS chainID: B,
resSeq: 53,
molecule: Chlamydomonas reinhardtii THB1
oxidoreductase
oligomeric count: 1
pocket vol.: 460.0 Å3
d(Fe-oop): 0.019 Å
HIS chainID: B, resSeq: 77,

molecule: Chlamydomonas reinhardtii THB1

4xe3-A-501
sad. -0.16
ruf. -0.55
dom. +0.06
bre. +0.12
CYS chainID: A,
resSeq: 356,
molecule: Cytochrome P-450
oxidoreductase
oligomeric count: 1
pocket vol.: 497.0 Å3
d(Fe-oop): 0.026 Å
CL6 chainID: A, resSeq: 502,

molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE

4xe3-B-501
sad. -0.21
ruf. -0.40
dom. +0.17
bre. +0.07
CYS chainID: B,
resSeq: 356,
molecule: Cytochrome P-450
oxidoreductase
oligomeric count: 1
pocket vol.: 471.0 Å3
d(Fe-oop): 0.062 Å
CL6 chainID: B, resSeq: 502,

molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE

4xmc-A-201
sad. +0.46
ruf. +0.08
dom. -0.01
bre. -0.22
HIS chainID: A,
resSeq: 60,
molecule: Nitrophorin-7
oxidoreductase
oligomeric count: 1
pocket vol.: 585.0 Å3
d(Fe-oop): 0.082 Å
HOH chainID: A, resSeq: 363,

molecule: water

4xmd-A-201
sad. +0.77
ruf. -0.24
dom. +0.06
bre. -0.19
HIS chainID: A,
resSeq: 60,
molecule: Nitrophorin-7
oxidoreductase
oligomeric count: 1
pocket vol.: 604.0 Å3
d(Fe-oop): 0.110 Å
HOH chainID: A, resSeq: 469,

molecule: water

4xme-A-201
sad. +0.55
ruf. -0.05
dom. -0.01
bre. -0.13
HIS chainID: A,
resSeq: 60,
molecule: Nitrophorin-7
oxidoreductase
oligomeric count: 1
pocket vol.: 564.0 Å3
d(Fe-oop): 0.022 Å
NO chainID: A, resSeq: 202,

molecule: NITRIC OXIDE

4xmf-A-201
sad. +0.71
ruf. -0.19
dom. +0.10
bre. -0.21
HIS chainID: A,
resSeq: 60,
molecule: Nitrophorin-7
oxidoreductase
oligomeric count: 1
pocket vol.: 591.0 Å3
d(Fe-oop): 0.002 Å
HSM chainID: A, resSeq: 202,

molecule: HISTAMINE

4xmg-A-201
sad. +0.48
ruf. +0.04
dom. +0.09
bre. -0.19
HIS chainID: A,
resSeq: 60,
molecule: Nitrophorin-7
oxidoreductase
oligomeric count: 1
pocket vol.: 594.0 Å3
d(Fe-oop): 0.047 Å
IMD chainID: A, resSeq: 202,

molecule: IMIDAZOLE

4xmh-A-201
sad. +0.43
ruf. +0.12
dom. -0.07
bre. -0.15
HIS chainID: A,
resSeq: 60,
molecule: Nitrophorin-7
oxidoreductase
oligomeric count: 2
pocket vol.: 513.0 Å3
d(Fe-oop): 0.025 Å
GLY chainID: B, resSeq: 1,

molecule: GLY-GLY-GLY

4xry-A-601
sad. -0.15
ruf. -0.21
dom. +0.09
bre. -0.23
CYS chainID: A,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 392.0 Å3
d(Fe-oop): 0.030 Å
Not assigned.
4xry-B-601
sad. -0.22
ruf. -0.19
dom. +0.04
bre. -0.23
CYS chainID: B,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 404.0 Å3
d(Fe-oop): 0.240 Å
HOH chainID: B, resSeq: 726,

molecule: water

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