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ID of heme Axial ligands on heme Function & structure
5ir6-A-502
sad. -0.00
ruf. -0.01
dom. -0.02
bre. -0.80
HIS chainID: A,
resSeq: 21,
molecule: Bd-type quinol oxidase subunit I
electron transporter
oligomeric count: 3
pocket vol.: 507.0 Å3
d(Fe-oop): 0.035 Å
GLU chainID: A, resSeq: 101,

molecule: Bd-type quinol oxidase subunit I

5irq-A-600
sad. -0.09
ruf. +0.17
dom. -0.07
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 425.0 Å3
d(Fe-oop): 0.160 Å
6D7 chainID: A, resSeq: 601,

molecule: (R)-orteronel

5irq-B-600
sad. -0.07
ruf. +0.31
dom. -0.04
bre. -0.22
CYS chainID: B,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 426.0 Å3
d(Fe-oop): 0.110 Å
6D7 chainID: B, resSeq: 601,

molecule: (R)-orteronel

5irq-C-600
sad. +0.03
ruf. +0.39
dom. -0.09
bre. -0.20
CYS chainID: C,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 429.0 Å3
d(Fe-oop): 0.056 Å
7D6 chainID: C, resSeq: 601,

molecule: (S)-orteronel

5irq-D-602
sad. +0.05
ruf. +0.08
dom. -0.04
bre. -0.23
CYS chainID: D,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 428.0 Å3
d(Fe-oop): 0.135 Å
7D6 chainID: D, resSeq: 601,

molecule: (S)-orteronel

5irv-A-600
sad. -0.03
ruf. +0.30
dom. +0.02
bre. -0.16
CYS chainID: A,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 453.0 Å3
d(Fe-oop): 0.006 Å
6D8 chainID: A, resSeq: 601,

molecule: VT-464

5irv-B-600
sad. -0.04
ruf. +0.06
dom. +0.03
bre. -0.16
CYS chainID: B,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 449.0 Å3
d(Fe-oop): 0.078 Å
6D8 chainID: B, resSeq: 601,

molecule: VT-464

5irv-C-600
sad. -0.07
ruf. -0.07
dom. +0.01
bre. -0.13
CYS chainID: C,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 445.0 Å3
d(Fe-oop): 0.045 Å
6D8 chainID: C, resSeq: 601,

molecule: VT-464

5irv-D-600
sad. -0.11
ruf. -0.12
dom. -0.05
bre. -0.19
CYS chainID: D,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 443.0 Å3
d(Fe-oop): 0.136 Å
6D8 chainID: D, resSeq: 601,

molecule: VT-464

5it1-A-401
sad. -0.54
ruf. +0.06
dom. +0.20
bre. +0.01
CYS chainID: A,
resSeq: 348,
molecule: Putative cytochrome P450
oxidoreductase
oligomeric count: 1
pocket vol.: 458.0 Å3
d(Fe-oop): 0.035 Å
Not assigned.
5it1-B-401
sad. -0.58
ruf. -0.10
dom. -0.08
bre. +0.01
CYS chainID: B,
resSeq: 348,
molecule: Putative cytochrome P450
oxidoreductase
oligomeric count: 1
pocket vol.: 483.0 Å3
d(Fe-oop): 0.052 Å
HOH chainID: B, resSeq: 632,

molecule: water

5it1-C-401
sad. -0.52
ruf. +0.06
dom. +0.14
bre. +0.01
CYS chainID: C,
resSeq: 348,
molecule: Putative cytochrome P450
oxidoreductase
oligomeric count: 1
pocket vol.: 473.0 Å3
d(Fe-oop): 0.033 Å
Not assigned.
5it1-D-401
sad. -0.62
ruf. -0.12
dom. -0.09
bre. -0.04
CYS chainID: D,
resSeq: 348,
molecule: Putative cytochrome P450
oxidoreductase
oligomeric count: 1
pocket vol.: 467.0 Å3
d(Fe-oop): 0.053 Å
Not assigned.
5iut-A-501
sad. -0.26
ruf. +0.32
dom. -0.01
bre. -0.16
CYS chainID: A,
resSeq: 436,
molecule: Cytochrome P450 2B4
oxidoreductase
oligomeric count: 1
pocket vol.: 384.0 Å3
d(Fe-oop): 0.146 Å
32M chainID: A, resSeq: 502,

molecule: 3,6,9,12,15,18-hexaoxahexacosan-1-ol

5iuz-A-501
sad. -0.32
ruf. +0.07
dom. -0.08
bre. +0.01
CYS chainID: A,
resSeq: 436,
molecule: Cytochrome P450 2B4
oxidoreductase
oligomeric count: 1
pocket vol.: 406.0 Å3
d(Fe-oop): 0.038 Å
Not assigned.
5iuz-B-501
sad. -0.27
ruf. +0.13
dom. +0.07
bre. +0.12
CYS chainID: B,
resSeq: 436,
molecule: Cytochrome P450 2B4
oxidoreductase
oligomeric count: 1
pocket vol.: 396.0 Å3
d(Fe-oop): 0.004 Å
Not assigned.
5ixr-A-201
sad. -0.04
ruf. +0.49
dom. -0.55
bre. +0.13
HIS chainID: A,
resSeq: 105,
molecule: Alr2278 protein
unclassified
oligomeric count: 2
pocket vol.: 410.0 Å3
d(Fe-oop): 0.033 Å
IMD chainID: A, resSeq: 202,

molecule: IMIDAZOLE

5ixr-B-501
sad. +0.04
ruf. +0.36
dom. -0.52
bre. +0.08
HIS chainID: B,
resSeq: 105,
molecule: Alr2278 protein
unclassified
oligomeric count: 2
pocket vol.: 399.0 Å3
d(Fe-oop): 0.030 Å
IMD chainID: B, resSeq: 502,

molecule: IMIDAZOLE

5ixv-A-201
sad. -0.18
ruf. +0.54
dom. -0.66
bre. +0.14
HIS chainID: A,
resSeq: 105,
molecule: Alr2278 protein
unclassified
oligomeric count: 2
pocket vol.: 405.0 Å3
d(Fe-oop): 0.009 Å
1MZ chainID: A, resSeq: 202,

molecule: 1-METHYLIMIDAZOLE

5ixv-B-501
sad. -0.13
ruf. -0.44
dom. +0.51
bre. +0.11
HIS chainID: B,
resSeq: 105,
molecule: Alr2278 protein
unclassified
oligomeric count: 2
pocket vol.: 393.0 Å3
d(Fe-oop): 0.034 Å
1MZ chainID: B, resSeq: 502,

molecule: 1-METHYLIMIDAZOLE