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ID of heme Axial ligands on heme Function & structure
9es9-I-302
sad. -0.81
ruf. -0.53
dom. +0.09
bre. -0.11
HIS chainID: I,
resSeq: 100,
molecule: Cytochrome b6
electron transporter
oligomeric count: 18
pocket vol.: 488.0 Å3
d(Fe-oop): 0.027 Å
HIS chainID: I, resSeq: 202,

molecule: Cytochrome b6

9es9-I-303
sad. +0.52
ruf. -0.25
dom. -0.16
bre. -0.21
HOH chainID: I,
resSeq: 402,
molecule: water
electron transporter
oligomeric count: 18
pocket vol.: 662.0 Å3
d(Fe-oop): 0.109 Å
Not assigned.
9es9-K-301
sad. -0.34
ruf. -0.71
dom. +0.02
bre. -0.17
TYR chainID: K,
resSeq: 1,
molecule: Cytochrome f
electron transporter
oligomeric count: 18
pocket vol.: 459.0 Å3
d(Fe-oop): 0.038 Å
HIS chainID: K, resSeq: 25,

molecule: Cytochrome f

9esb-A-501
sad. +0.63
ruf. -0.20
dom. -0.12
bre. -0.24
HIS chainID: A,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 2
pocket vol.: 520.0 Å3
d(Fe-oop): 0.022 Å
A1H6T chainID: A, resSeq: 502,

molecule: (~{R})-(6-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol

9esb-B-501
sad. +0.56
ruf. -0.18
dom. -0.05
bre. -0.26
HIS chainID: B,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 2
pocket vol.: 481.0 Å3
d(Fe-oop): 0.048 Å
A1H6T chainID: B, resSeq: 502,

molecule: (~{R})-(6-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol

9esc-A-501
sad. +0.56
ruf. -0.06
dom. -0.14
bre. -0.21
HIS chainID: A,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 2
pocket vol.: 502.0 Å3
d(Fe-oop): 0.019 Å
A1H6R chainID: A, resSeq: 502,

molecule: (~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol

9esc-B-501
sad. +0.57
ruf. -0.12
dom. -0.05
bre. -0.23
HIS chainID: B,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 2
pocket vol.: 484.0 Å3
d(Fe-oop): 0.005 Å
A1H6R chainID: B, resSeq: 502,

molecule: (~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol

9esd-A-401
sad. -0.07
ruf. -0.40
dom. +0.02
bre. -0.28
HIS chainID: A,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 565.0 Å3
d(Fe-oop): 0.010 Å
5PK chainID: A, resSeq: 402,

molecule: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol

9esd-B-401
sad. -0.11
ruf. -0.47
dom. +0.05
bre. -0.27
HIS chainID: B,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 549.0 Å3
d(Fe-oop): 0.043 Å
5PK chainID: B, resSeq: 402,

molecule: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol

9esd-C-401
sad. -0.06
ruf. -0.43
dom. +0.00
bre. -0.27
HIS chainID: C,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 516.0 Å3
d(Fe-oop): 0.041 Å
5PK chainID: C, resSeq: 402,

molecule: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol

9esd-D-401
sad. -0.07
ruf. -0.51
dom. +0.04
bre. -0.27
HIS chainID: D,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 540.0 Å3
d(Fe-oop): 0.080 Å
5PK chainID: D, resSeq: 402,

molecule: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol

9ese-A-501
sad. +0.75
ruf. -0.06
dom. -0.16
bre. -0.26
HIS chainID: A,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 2
pocket vol.: 495.0 Å3
d(Fe-oop): 0.044 Å
A1H6V chainID: A, resSeq: 502,

molecule: (~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol

9ese-B-501
sad. +0.70
ruf. -0.08
dom. -0.13
bre. -0.25
HIS chainID: B,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 2
pocket vol.: 541.0 Å3
d(Fe-oop): 0.011 Å
A1H6V chainID: B, resSeq: 502,

molecule: (~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol

9esf-A-401
sad. +0.07
ruf. -0.15
dom. +0.14
bre. -0.28
HIS chainID: A,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 531.0 Å3
d(Fe-oop): 0.161 Å
A1H6U chainID: A, resSeq: 402,

molecule: (~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol

9esf-B-401
sad. +0.11
ruf. -0.13
dom. +0.14
bre. -0.27
HIS chainID: B,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 555.0 Å3
d(Fe-oop): 0.144 Å
A1H6U chainID: B, resSeq: 402,

molecule: (~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol

9esf-C-401
sad. +0.09
ruf. -0.12
dom. +0.13
bre. -0.28
HIS chainID: C,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 547.0 Å3
d(Fe-oop): 0.130 Å
A1H6U chainID: C, resSeq: 402,

molecule: (~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol

9esf-D-401
sad. +0.12
ruf. -0.14
dom. +0.11
bre. -0.28
HIS chainID: D,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 527.0 Å3
d(Fe-oop): 0.157 Å
A1H6U chainID: D, resSeq: 402,

molecule: (~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol

9esg-A-501
sad. +0.76
ruf. -0.04
dom. -0.23
bre. -0.26
HIS chainID: A,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 2
pocket vol.: 492.0 Å3
d(Fe-oop): 0.170 Å
A1H60 chainID: A, resSeq: 502,

molecule: (~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol

9esg-B-501
sad. +0.72
ruf. -0.02
dom. -0.23
bre. -0.26
HIS chainID: B,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 2
pocket vol.: 536.0 Å3
d(Fe-oop): 0.177 Å
A1H60 chainID: B, resSeq: 502,

molecule: (~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol

9etv-A-401
sad. +0.15
ruf. -0.16
dom. +0.09
bre. -0.29
HIS chainID: A,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 491.0 Å3
d(Fe-oop): 0.068 Å
A1H61 chainID: A, resSeq: 402,

molecule: 6-methylimidazo[1,5-a]pyridine