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ID of heme Axial ligands on heme Function & structure
9ca3-A-301
sad. +0.08
ruf. -0.01
dom. -0.09
bre. -0.13
HIS chainID: A,
resSeq: 201,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 457.0 Å3
d(Fe-oop): 0.074 Å
CYN chainID: A, resSeq: 302,

molecule: CYANIDE ION

9ca3-B-301
sad. -0.02
ruf. +0.01
dom. +0.01
bre. -0.07
HIS chainID: B,
resSeq: 201,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 435.0 Å3
d(Fe-oop): 0.042 Å
CYN chainID: B, resSeq: 302,

molecule: CYANIDE ION

9ca3-C-301
sad. -0.12
ruf. +0.02
dom. +0.07
bre. -0.08
HIS chainID: C,
resSeq: 201,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 430.0 Å3
d(Fe-oop): 0.027 Å
CYN chainID: C, resSeq: 302,

molecule: CYANIDE ION

9ca3-D-301
sad. -0.17
ruf. +0.09
dom. +0.06
bre. -0.19
HIS chainID: D,
resSeq: 201,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 432.0 Å3
d(Fe-oop): 0.018 Å
CYN chainID: D, resSeq: 302,

molecule: CYANIDE ION

9cdr-A-901
sad. -0.16
ruf. +0.36
dom. -0.33
bre. -0.16
HIS chainID: A,
resSeq: 77,
molecule: Oxygen sensor protein DosP
hydrolase
oligomeric count: 2
pocket vol.: 555.0 Å3
d(Fe-oop): 0.057 Å
OXY chainID: A, resSeq: 902,

molecule: OXYGEN MOLECULE

9cdr-B-901
sad. -0.10
ruf. +0.55
dom. -0.70
bre. -0.04
OXY chainID: B,
resSeq: 902,
molecule: OXYGEN MOLECULE
hydrolase
oligomeric count: 2
pocket vol.: 525.0 Å3
d(Fe-oop): 0.022 Å
Not assigned.
9ce0-A-901
sad. -0.03
ruf. +0.70
dom. -0.64
bre. -0.02
OXY chainID: A,
resSeq: 902,
molecule: OXYGEN MOLECULE
hydrolase
oligomeric count: 2
pocket vol.: 503.0 Å3
d(Fe-oop): 0.027 Å
Not assigned.
9ce0-B-901
sad. -0.16
ruf. +0.55
dom. +0.04
bre. -0.17
HIS chainID: B,
resSeq: 77,
molecule: Oxygen sensor protein DosP
hydrolase
oligomeric count: 2
pocket vol.: 580.0 Å3
d(Fe-oop): 0.059 Å
OXY chainID: B, resSeq: 902,

molecule: OXYGEN MOLECULE

9cjg-A-401
sad. -0.28
ruf. -0.02
dom. +0.26
bre. +0.04
SER chainID: A,
resSeq: 341,
molecule: Cytochrome P450-G9
oxidoreductase
oligomeric count: 1
pocket vol.: 378.0 Å3
d(Fe-oop): 0.002 Å
Not assigned.
9cjg-B-401
sad. -0.42
ruf. +0.35
dom. +0.23
bre. +0.08
SER chainID: B,
resSeq: 341,
molecule: Cytochrome P450-G9
oxidoreductase
oligomeric count: 1
pocket vol.: 379.0 Å3
d(Fe-oop): 0.048 Å
Not assigned.
9clo-A-901
sad. +0.26
ruf. +0.09
dom. -0.76
bre. -0.13
Not assigned. unclassified
oligomeric count: 2
pocket vol.: 596.0 Å3
d(Fe-oop): 0.015 Å
Not assigned.
9clo-B-902
sad. +0.39
ruf. +0.33
dom. -0.58
bre. -0.14
HIS chainID: B,
resSeq: 77,
molecule: Oxygen sensor protein DosP
hydrolase
oligomeric count: 2
pocket vol.: 557.0 Å3
d(Fe-oop): 0.078 Å
Not assigned.
9cmf-A-901
sad. -0.13
ruf. +0.37
dom. -0.19
bre. -0.06
Not assigned. unclassified
oligomeric count: 2
pocket vol.: 649.0 Å3
d(Fe-oop): 0.046 Å
Not assigned.
9cmf-B-901
sad. -0.24
ruf. -0.53
dom. -0.51
bre. -0.07
HIS chainID: B,
resSeq: 77,
molecule: Oxygen sensor protein DosP
hydrolase
oligomeric count: 2
pocket vol.: 637.0 Å3
d(Fe-oop): 0.020 Å
Not assigned.
9cor-A-601
sad. -0.21
ruf. +0.03
dom. -0.07
bre. -0.23
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 420.0 Å3
d(Fe-oop): 0.083 Å
A1A07 chainID: A, resSeq: 602,

molecule: (2R)-3-phenyl-2-{[(2S)-3-phenyl-2-{[N-(trifluoroacetyl)glycyl]amino}propyl]sulfanyl}-N-[2-(pyridin-3-yl)ethyl]propanamide

9cos-A-601
sad. -0.19
ruf. +0.13
dom. -0.02
bre. -0.21
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 403.0 Å3
d(Fe-oop): 0.117 Å
A1A06 chainID: A, resSeq: 602,

molecule: (2R)-3-phenyl-2-{[(2S)-3-phenyl-2-{[N-(trifluoroacetyl)glycyl]amino}propyl]sulfanyl}-N-[3-(pyridin-3-yl)propyl]propanamide

9cot-A-601
sad. -0.22
ruf. +0.11
dom. +0.05
bre. -0.23
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 422.0 Å3
d(Fe-oop): 0.032 Å
A1A08 chainID: A, resSeq: 602,

molecule: (2R)-3-phenyl-2-{[(2S)-3-phenyl-2-(2,2,2-trifluoroacetamido)propyl]sulfanyl}-N-[3-(pyridin-3-yl)propyl]propanamide

9cou-A-601
sad. -0.23
ruf. +0.05
dom. +0.05
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 424.0 Å3
d(Fe-oop): 0.018 Å
A1A4U chainID: A, resSeq: 602,

molecule: (2R)-2-{[(2S)-2-(benzenesulfonamido)-3-phenylpropyl]sulfanyl}-3-phenyl-N-[3-(pyridin-3-yl)propyl]propanamide

9cov-A-601
sad. -0.32
ruf. +0.16
dom. +0.01
bre. -0.24
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 409.0 Å3
d(Fe-oop): 0.091 Å
A1A4S chainID: A, resSeq: 602,

molecule: N-[(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide

9cow-A-601
sad. -0.16
ruf. -0.14
dom. +0.05
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 415.0 Å3
d(Fe-oop): 0.053 Å
A1A4V chainID: A, resSeq: 603,

molecule: N-[(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide