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ID of heme Axial ligands on heme Function & structure
7kvp-A-601
sad. -0.19
ruf. +0.14
dom. +0.09
bre. -0.15
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 443.0 Å3
d(Fe-oop): 0.044 Å
X6J chainID: A, resSeq: 602,

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

7kvq-A-601
sad. -0.29
ruf. +0.15
dom. +0.03
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 408.0 Å3
d(Fe-oop): 0.048 Å
X7D chainID: A, resSeq: 607,

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

7kvq-B-601
sad. -0.24
ruf. -0.04
dom. +0.08
bre. -0.22
CYS chainID: B,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 414.0 Å3
d(Fe-oop): 0.053 Å
X7D chainID: B, resSeq: 602,

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

7kvs-A-601
sad. -0.31
ruf. +0.08
dom. +0.15
bre. -0.23
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 411.0 Å3
d(Fe-oop): 0.062 Å
X74 chainID: A, resSeq: 605,

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

7kvs-B-602
sad. -0.32
ruf. -0.10
dom. +0.12
bre. -0.22
CYS chainID: B,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 416.0 Å3
d(Fe-oop): 0.098 Å
X74 chainID: B, resSeq: 603,

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

7kyr-A-201
sad. +0.01
ruf. -0.00
dom. -0.02
bre. -0.45
HIS chainID: A,
resSeq: 93,
molecule: Myoglobin
oxygen carrier
oligomeric count: 1
pocket vol.: 475.0 Å3
d(Fe-oop): 0.036 Å
HOH chainID: A, resSeq: 331,

molecule: water

7l3u-A-201
sad. +0.08
ruf. -0.01
dom. -0.10
bre. -0.18
HIS chainID: A,
resSeq: 93,
molecule: Myoglobin
oxygen carrier
oligomeric count: 1
pocket vol.: 497.0 Å3
d(Fe-oop): 0.079 Å
HOH chainID: A, resSeq: 326,

molecule: water

7l3y-A-201
sad. +0.11
ruf. +0.07
dom. -0.25
bre. -0.15
HIS chainID: A,
resSeq: 93,
molecule: Myoglobin
oxygen carrier
oligomeric count: 1
pocket vol.: 535.0 Å3
d(Fe-oop): 0.188 Å
PER chainID: A, resSeq: 202,

molecule: PEROXIDE ION

7lad-A-601
sad. -0.23
ruf. +0.19
dom. +0.01
bre. +0.07
CYS chainID: A,
resSeq: 441,
molecule: Cytochrome P450 3A5
oxidoreductase
oligomeric count: 1
pocket vol.: 417.0 Å3
d(Fe-oop): 0.093 Å
Not assigned.
7lae-B-601
sad. -0.66
ruf. +0.28
dom. -0.44
bre. +0.29
HIS chainID: B,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 405.0 Å3
d(Fe-oop): 0.313 Å
Not assigned.
7lae-E-604
sad. -0.86
ruf. +0.00
dom. -0.46
bre. +0.33
HIS chainID: E,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 400.0 Å3
d(Fe-oop): 0.373 Å
Not assigned.
7lag-B-601
sad. -0.79
ruf. +0.04
dom. -0.42
bre. +0.26
HIS chainID: B,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 380.0 Å3
d(Fe-oop): 0.336 Å
Not assigned.
7lag-E-601
sad. -0.72
ruf. +0.06
dom. -0.36
bre. +0.27
HIS chainID: E,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 383.0 Å3
d(Fe-oop): 0.328 Å
Not assigned.
7lag-G-601
sad. -0.76
ruf. +0.01
dom. -0.27
bre. +0.25
HIS chainID: G,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 373.0 Å3
d(Fe-oop): 0.257 Å
Not assigned.
7lag-I-601
sad. -0.90
ruf. +0.14
dom. -0.38
bre. +0.26
HIS chainID: I,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 388.0 Å3
d(Fe-oop): 0.335 Å
Not assigned.
7lal-B-601
sad. -0.70
ruf. +0.09
dom. -0.35
bre. +0.16
HIS chainID: B,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 425.0 Å3
d(Fe-oop): 0.251 Å
Not assigned.
7lal-E-603
sad. -0.92
ruf. -0.01
dom. -0.48
bre. +0.18
HIS chainID: E,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 367.0 Å3
d(Fe-oop): 0.367 Å
Not assigned.
7lan-B-601
sad. -1.00
ruf. -0.07
dom. -0.57
bre. +0.22
HIS chainID: B,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 377.0 Å3
d(Fe-oop): 0.355 Å
HOH chainID: B, resSeq: 737,

molecule: water

7lan-E-601
sad. -1.06
ruf. -0.15
dom. -0.57
bre. +0.23
HIS chainID: E,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 376.0 Å3
d(Fe-oop): 0.339 Å
HOH chainID: E, resSeq: 765,

molecule: water

7lan-G-601
sad. -1.07
ruf. -0.19
dom. -0.56
bre. +0.20
HIS chainID: G,
resSeq: 336,
molecule: Isoform H14 of Myeloperoxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 373.0 Å3
d(Fe-oop): 0.362 Å
HOH chainID: G, resSeq: 718,

molecule: water