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ID of heme Axial ligands on heme Function & structure
6csd-B-601
sad. -0.01
ruf. -0.39
dom. -0.05
bre. -0.09
CYS chainID: B,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 374.0 Å3
d(Fe-oop): 0.029 Å
PN0 chainID: B, resSeq: 602,

molecule: Prinomastat

6cuk-A-201
sad. -0.16
ruf. -0.61
dom. -0.11
bre. -0.07
HIS chainID: A,
resSeq: 49,
molecule: Cytochrome c
electron transporter
oligomeric count: 1
pocket vol.: 372.0 Å3
d(Fe-oop): 0.002 Å
HOH chainID: A, resSeq: 335,

molecule: water

6cun-A-201
sad. -0.24
ruf. -0.49
dom. -0.16
bre. -0.01
HIS chainID: A,
resSeq: 49,
molecule: Cytochrome c
electron transporter
oligomeric count: 1
pocket vol.: 475.0 Å3
d(Fe-oop): 0.010 Å
CA1 chainID: A, resSeq: 202,

molecule: ETHYL PROPIONATE

6cvc-A-501
sad. -0.14
ruf. -0.27
dom. +0.03
bre. -0.20
CYS chainID: A,
resSeq: 379,
molecule: Cytochrome P450 124A1, Cyp124A1
oxidoreductase
oligomeric count: 1
pocket vol.: 394.0 Å3
d(Fe-oop): 0.040 Å
HOH chainID: A, resSeq: 674,

molecule: water

6cww-A-500
sad. -0.92
ruf. +1.12
dom. +0.08
bre. -0.00
HIS chainID: A,
resSeq: 102,
molecule: Methyl-accepting chemotaxis protein
oxygen carrier
oligomeric count: 1
pocket vol.: 400.0 Å3
d(Fe-oop): 0.013 Å
HOH chainID: A, resSeq: 678,

molecule: water

6cww-B-201
sad. -0.82
ruf. +1.14
dom. +0.07
bre. +0.04
HIS chainID: B,
resSeq: 102,
molecule: Methyl-accepting chemotaxis protein
oxygen carrier
oligomeric count: 1
pocket vol.: 407.0 Å3
d(Fe-oop): 0.011 Å
HOH chainID: B, resSeq: 342,

molecule: water

6cxu-A-500
sad. +0.10
ruf. +0.27
dom. -0.12
bre. -0.09
HIS chainID: A,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 1
pocket vol.: 440.0 Å3
d(Fe-oop): 0.013 Å
CYN chainID: A, resSeq: 501,

molecule: CYANIDE ION

6cxu-B-500
sad. +0.09
ruf. +0.33
dom. -0.13
bre. -0.06
HIS chainID: B,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 1
pocket vol.: 463.0 Å3
d(Fe-oop): 0.015 Å
CYN chainID: B, resSeq: 501,

molecule: CYANIDE ION

6cxv-A-501
sad. +0.10
ruf. +0.35
dom. -0.11
bre. -0.07
HIS chainID: A,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 1
pocket vol.: 439.0 Å3
d(Fe-oop): 0.008 Å
CYN chainID: A, resSeq: 502,

molecule: CYANIDE ION

6cxv-B-501
sad. +0.08
ruf. +0.36
dom. -0.09
bre. -0.07
HIS chainID: B,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 1
pocket vol.: 479.0 Å3
d(Fe-oop): 0.004 Å
CYN chainID: B, resSeq: 502,

molecule: CYANIDE ION

6d45-A-201
sad. +0.13
ruf. +0.21
dom. -0.31
bre. +0.02
GLU chainID: A,
resSeq: 68,
molecule: Myoglobin
oxygen carrier
oligomeric count: 1
pocket vol.: 546.0 Å3
d(Fe-oop): 0.151 Å
HIS chainID: A, resSeq: 93,

molecule: Myoglobin

6da2-A-601
sad. -0.15
ruf. +0.22
dom. +0.05
bre. -0.06
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 407.0 Å3
d(Fe-oop): 0.079 Å
G0D chainID: A, resSeq: 603,

molecule: tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

6da3-A-601
sad. -0.13
ruf. +0.43
dom. +0.07
bre. -0.27
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 416.0 Å3
d(Fe-oop): 0.092 Å
G0D chainID: A, resSeq: 602,

molecule: tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

6da5-A-601
sad. -0.05
ruf. +0.34
dom. +0.08
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 428.0 Å3
d(Fe-oop): 0.087 Å
G1J chainID: A, resSeq: 602,

molecule: tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

6da8-A-601
sad. -0.14
ruf. +0.24
dom. -0.10
bre. -0.14
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 438.0 Å3
d(Fe-oop): 0.261 Å
G0J chainID: A, resSeq: 602,

molecule: Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide

6daa-A-601
sad. -0.13
ruf. +0.47
dom. +0.10
bre. -0.12
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 424.0 Å3
d(Fe-oop): 0.083 Å
G0M chainID: A, resSeq: 602,

molecule: tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

6dab-A-601
sad. -0.15
ruf. +0.37
dom. +0.04
bre. -0.17
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 416.0 Å3
d(Fe-oop): 0.029 Å
G0V chainID: A, resSeq: 603,

molecule: tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

6dac-A-601
sad. -0.20
ruf. +0.18
dom. +0.07
bre. -0.12
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 430.0 Å3
d(Fe-oop): 0.144 Å
FZV chainID: A, resSeq: 602,

molecule: tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

6dag-A-601
sad. -0.23
ruf. +0.49
dom. -0.10
bre. +0.09
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 416.0 Å3
d(Fe-oop): 0.206 Å
G0Y chainID: A, resSeq: 602,

molecule: tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

6daj-A-601
sad. -0.13
ruf. +0.52
dom. +0.02
bre. -0.02
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 430.0 Å3
d(Fe-oop): 0.141 Å
FZV chainID: A, resSeq: 602,

molecule: tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate