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ID of heme Axial ligands on heme Function & structure
9av9-D-202
sad. +0.11
ruf. -0.26
dom. -0.33
bre. -0.19
HIS chainID: D,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 549.0 Å3
d(Fe-oop): 0.007 Å
HOH chainID: D, resSeq: 325,

molecule: water

9ayz-A-201
sad. +0.22
ruf. -0.13
dom. -0.49
bre. -0.19
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 557.0 Å3
d(Fe-oop): 0.042 Å
Not assigned.
9ayz-B-201
sad. +0.21
ruf. -0.11
dom. -0.44
bre. -0.19
HIS chainID: B,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 548.0 Å3
d(Fe-oop): 0.037 Å
Not assigned.
9ayz-C-201
sad. +0.41
ruf. -0.35
dom. -0.48
bre. -0.17
HIS chainID: C,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 540.0 Å3
d(Fe-oop): 0.018 Å
Not assigned.
9ayz-D-201
sad. -0.10
ruf. -0.82
dom. -0.12
bre. -0.09
HIS chainID: D,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 678.0 Å3
d(Fe-oop): 0.124 Å
Not assigned.
9ayz-E-201
sad. +0.20
ruf. -0.20
dom. -0.68
bre. -0.17
HIS chainID: E,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 564.0 Å3
d(Fe-oop): 0.010 Å
Not assigned.
9ayz-F-201
sad. +0.64
ruf. +0.09
dom. -0.67
bre. -0.14
HIS chainID: F,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 563.0 Å3
d(Fe-oop): 0.017 Å
Not assigned.
9ayz-G-201
sad. +0.33
ruf. -0.32
dom. -0.90
bre. -0.11
HIS chainID: G,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 621.0 Å3
d(Fe-oop): 0.094 Å
Not assigned.
9ayz-H-201
sad. +0.10
ruf. +0.24
dom. -0.33
bre. -0.19
HIS chainID: H,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 598.0 Å3
d(Fe-oop): 0.038 Å
Not assigned.
9b17-A-401
sad. +0.06
ruf. -0.56
dom. +0.05
bre. +0.05
HIS chainID: A,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 450.0 Å3
d(Fe-oop): 0.029 Å
Not assigned.
9b17-B-401
sad. -0.14
ruf. -0.72
dom. +0.12
bre. +0.06
HIS chainID: B,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 449.0 Å3
d(Fe-oop): 0.065 Å
Not assigned.
9b17-C-401
sad. -0.15
ruf. -0.44
dom. +0.17
bre. +0.04
HIS chainID: C,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 447.0 Å3
d(Fe-oop): 0.032 Å
Not assigned.
9b17-D-401
sad. -0.01
ruf. -0.66
dom. -0.05
bre. +0.11
HIS chainID: D,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 434.0 Å3
d(Fe-oop): 0.089 Å
Not assigned.
9b1q-A-401
sad. +0.01
ruf. -0.65
dom. +0.07
bre. +0.10
HIS chainID: A,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 421.0 Å3
d(Fe-oop): 0.007 Å
Not assigned.
9b1q-B-401
sad. -0.28
ruf. -0.94
dom. +0.21
bre. -0.02
HIS chainID: B,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 414.0 Å3
d(Fe-oop): 0.049 Å
Not assigned.
9b1q-C-401
sad. -0.05
ruf. -0.81
dom. +0.09
bre. -0.07
HIS chainID: C,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 433.0 Å3
d(Fe-oop): 0.014 Å
Not assigned.
9b1q-D-401
sad. -0.06
ruf. -0.47
dom. +0.03
bre. +0.13
HIS chainID: D,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 429.0 Å3
d(Fe-oop): 0.053 Å
Not assigned.
9bbb-A-601
sad. -0.16
ruf. +0.26
dom. +0.13
bre. -0.21
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 432.0 Å3
d(Fe-oop): 0.054 Å
A1APA chainID: A, resSeq: 602,

molecule: cobicistat

9bdj-A-601
sad. +0.00
ruf. +0.61
dom. +0.57
bre. -0.03
TYR chainID: A,
resSeq: 357,
molecule: Catalase
oxidoreductase
oligomeric count: 4
pocket vol.: 445.0 Å3
d(Fe-oop): 0.171 Å
Not assigned.
9bdj-B-601
sad. +0.09
ruf. +0.36
dom. +0.61
bre. -0.01
TYR chainID: B,
resSeq: 357,
molecule: Catalase
oxidoreductase
oligomeric count: 4
pocket vol.: 411.0 Å3
d(Fe-oop): 0.226 Å
Not assigned.