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ID of heme Axial ligands on heme Function & structure
7rje-K-402
sad. -0.47
ruf. -0.73
dom. -0.03
bre. +0.02
HIS chainID: K,
resSeq: 96,
molecule: Cytochrome b
electron transporter
oligomeric count: 18
pocket vol.: 352.0 Å3
d(Fe-oop): 0.101 Å
HIS chainID: K, resSeq: 197,

molecule: Cytochrome b

7rje-T-401
sad. -0.12
ruf. -0.29
dom. +0.23
bre. -0.12
HIS chainID: T,
resSeq: 82,
molecule: Cytochrome b
electron transporter
oligomeric count: 18
pocket vol.: 401.0 Å3
d(Fe-oop): 0.175 Å
HIS chainID: T, resSeq: 183,

molecule: Cytochrome b

7rje-T-402
sad. -0.45
ruf. -0.72
dom. -0.04
bre. +0.03
HIS chainID: T,
resSeq: 96,
molecule: Cytochrome b
electron transporter
oligomeric count: 18
pocket vol.: 348.0 Å3
d(Fe-oop): 0.080 Å
HIS chainID: T, resSeq: 197,

molecule: Cytochrome b

7rje-D-301
sad. -0.15
ruf. -0.39
dom. -0.13
bre. -0.08
HIS chainID: D,
resSeq: 86,
molecule: Ubiquinol--cytochrome-c reductase catalytic subunit
translocase
oligomeric count: 18
pocket vol.: 360.0 Å3
d(Fe-oop): 0.000 Å
MET chainID: D, resSeq: 206,

molecule: Ubiquinol--cytochrome-c reductase catalytic subunit

7rje-N-301
sad. -0.14
ruf. -0.38
dom. -0.10
bre. -0.09
HIS chainID: N,
resSeq: 86,
molecule: Ubiquinol--cytochrome-c reductase catalytic subunit
translocase
oligomeric count: 18
pocket vol.: 387.0 Å3
d(Fe-oop): 0.001 Å
MET chainID: N, resSeq: 206,

molecule: Ubiquinol--cytochrome-c reductase catalytic subunit

7rkr-A-501
sad. +0.01
ruf. -0.42
dom. +0.07
bre. +0.01
CYS chainID: A,
resSeq: 430,
molecule: Protein CYP51
oxidoreductase
oligomeric count: 1
pocket vol.: 469.0 Å3
d(Fe-oop): 0.003 Å
L49 chainID: A, resSeq: 502,

molecule: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate

7rkt-A-501
sad. -0.04
ruf. -0.36
dom. -0.03
bre. +0.08
CYS chainID: A,
resSeq: 405,
molecule: Protein CYP51
oxidoreductase
oligomeric count: 1
pocket vol.: 539.0 Å3
d(Fe-oop): 0.015 Å
5UR chainID: A, resSeq: 502,

molecule: (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate

7rkw-A-501
sad. -0.13
ruf. -0.34
dom. +0.01
bre. +0.06
CYS chainID: A,
resSeq: 405,
molecule: Protein CYP51
oxidoreductase
oligomeric count: 1
pocket vol.: 492.0 Å3
d(Fe-oop): 0.016 Å
5TV chainID: A, resSeq: 502,

molecule: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate

7rl2-A-501
sad. -0.15
ruf. +0.33
dom. +0.01
bre. +0.11
CYS chainID: A,
resSeq: 435,
molecule: Cytochrome P450 2C9
oxidoreductase
oligomeric count: 1
pocket vol.: 393.0 Å3
d(Fe-oop): 0.122 Å
HOH chainID: A, resSeq: 645,

molecule: water

7rmu-A-501
sad. +0.37
ruf. +0.19
dom. +0.12
bre. -0.20
MHS chainID: A,
resSeq: 312,
molecule: DyP-type Peroxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 430.0 Å3
d(Fe-oop): 0.182 Å
Not assigned.
7rst-A-300
sad. +0.03
ruf. +0.36
dom. -0.39
bre. -0.18
CYS chainID: A,
resSeq: 29,
molecule: Chloroperoxidase
oxidoreductase
oligomeric count: 1
pocket vol.: 382.0 Å3
d(Fe-oop): 0.377 Å
Not assigned.
7rtq-A-501
sad. -0.23
ruf. -0.36
dom. +0.08
bre. +0.01
CYS chainID: A,
resSeq: 430,
molecule: Protein CYP51
oxidoreductase
oligomeric count: 1
pocket vol.: 465.0 Å3
d(Fe-oop): 0.042 Å
7PW chainID: A, resSeq: 502,

molecule: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

7rtq-B-501
sad. -0.17
ruf. -0.38
dom. +0.01
bre. +0.00
CYS chainID: B,
resSeq: 430,
molecule: Protein CYP51
oxidoreductase
oligomeric count: 1
pocket vol.: 465.0 Å3
d(Fe-oop): 0.043 Å
7PW chainID: B, resSeq: 502,

molecule: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

7rtq-C-501
sad. -0.26
ruf. -0.29
dom. +0.08
bre. +0.00
CYS chainID: C,
resSeq: 430,
molecule: Protein CYP51
oxidoreductase
oligomeric count: 1
pocket vol.: 478.0 Å3
d(Fe-oop): 0.045 Å
7PW chainID: C, resSeq: 502,

molecule: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

7rtq-D-501
sad. -0.17
ruf. -0.36
dom. +0.01
bre. -0.00
CYS chainID: D,
resSeq: 430,
molecule: Protein CYP51
oxidoreductase
oligomeric count: 1
pocket vol.: 456.0 Å3
d(Fe-oop): 0.042 Å
7PW chainID: D, resSeq: 502,

molecule: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

7rwu-A-205
sad. +0.02
ruf. -0.20
dom. +0.05
bre. -0.06
MET chainID: A,
resSeq: 7,
molecule: Soluble cytochrome b562
electron transporter
oligomeric count: 3
pocket vol.: 448.0 Å3
d(Fe-oop): 0.035 Å
HIS chainID: A, resSeq: 102,

molecule: Soluble cytochrome b562

7rwv-A-201
sad. -0.17
ruf. -0.24
dom. -0.12
bre. -0.09
MET chainID: A,
resSeq: 7,
molecule: Soluble cytochrome b562
electron transporter
oligomeric count: 4
pocket vol.: 457.0 Å3
d(Fe-oop): 0.043 Å
HIS chainID: A, resSeq: 102,

molecule: Soluble cytochrome b562

7rwv-B-201
sad. -0.15
ruf. +0.07
dom. -0.05
bre. -0.12
MET chainID: B,
resSeq: 7,
molecule: Soluble cytochrome b562
electron transporter
oligomeric count: 4
pocket vol.: 473.0 Å3
d(Fe-oop): 0.047 Å
HIS chainID: B, resSeq: 102,

molecule: Soluble cytochrome b562

7rwv-C-201
sad. -0.21
ruf. -0.03
dom. +0.14
bre. -0.28
MET chainID: C,
resSeq: 7,
molecule: Soluble cytochrome b562
electron transporter
oligomeric count: 4
pocket vol.: 486.0 Å3
d(Fe-oop): 0.020 Å
HIS chainID: C, resSeq: 102,

molecule: Soluble cytochrome b562

7rwv-D-201
sad. -0.13
ruf. +0.28
dom. -0.15
bre. -0.16
MET chainID: D,
resSeq: 7,
molecule: Soluble cytochrome b562
electron transporter
oligomeric count: 4
pocket vol.: 424.0 Å3
d(Fe-oop): 0.022 Å
HIS chainID: D, resSeq: 102,

molecule: Soluble cytochrome b562