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ID of heme Axial ligands on heme Function & structure
3gqg-D-800
sad. +0.03
ruf. -0.26
dom. -0.14
bre. -0.13
HIS chainID: D,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 577.0 Å3
d(Fe-oop): 0.317 Å
Not assigned.
3gqp-A-143
sad. +0.20
ruf. -0.10
dom. -0.34
bre. -0.39
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 515.0 Å3
d(Fe-oop): 0.003 Å
HOH chainID: A, resSeq: 175,

molecule: water

3gqp-B-148
sad. +0.27
ruf. -0.16
dom. -0.26
bre. -0.31
HIS chainID: B,
resSeq: 92,
molecule: Hemoglobin subunit beta-A/B
oxygen carrier
oligomeric count: 4
pocket vol.: 509.0 Å3
d(Fe-oop): 0.112 Å
HOH chainID: B, resSeq: 166,

molecule: water

3gqp-C-143
sad. +0.25
ruf. -0.26
dom. -0.48
bre. -0.21
HIS chainID: C,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 503.0 Å3
d(Fe-oop): 0.008 Å
HOH chainID: C, resSeq: 193,

molecule: water

3gqp-D-148
sad. +0.06
ruf. -0.20
dom. -0.43
bre. -0.33
HIS chainID: D,
resSeq: 92,
molecule: Hemoglobin subunit beta-A/B
oxygen carrier
oligomeric count: 4
pocket vol.: 515.0 Å3
d(Fe-oop): 0.069 Å
Not assigned.
3gqr-A-143
sad. +0.49
ruf. -0.44
dom. -0.26
bre. -0.44
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 546.0 Å3
d(Fe-oop): 0.040 Å
HOH chainID: A, resSeq: 145,

molecule: water

3gqr-B-148
sad. +0.04
ruf. -0.45
dom. -0.33
bre. -0.31
HIS chainID: B,
resSeq: 92,
molecule: Hemoglobin subunit beta-A/B
oxygen carrier
oligomeric count: 4
pocket vol.: 530.0 Å3
d(Fe-oop): 0.044 Å
HOH chainID: B, resSeq: 151,

molecule: water

3gqr-C-143
sad. +0.43
ruf. -0.33
dom. -0.33
bre. -0.31
HIS chainID: C,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 527.0 Å3
d(Fe-oop): 0.030 Å
HOH chainID: C, resSeq: 156,

molecule: water

3gqr-D-148
sad. +0.18
ruf. -0.50
dom. -0.23
bre. -0.23
HIS chainID: D,
resSeq: 92,
molecule: Hemoglobin subunit beta-A/B
oxygen carrier
oligomeric count: 4
pocket vol.: 528.0 Å3
d(Fe-oop): 0.064 Å
HOH chainID: D, resSeq: 162,

molecule: water

3gqr-E-143
sad. +0.35
ruf. -0.46
dom. -0.19
bre. -0.35
HIS chainID: E,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 567.0 Å3
d(Fe-oop): 0.137 Å
HOH chainID: E, resSeq: 146,

molecule: water

3gqr-F-148
sad. +0.44
ruf. -0.03
dom. -0.72
bre. -0.26
HIS chainID: F,
resSeq: 92,
molecule: Hemoglobin subunit beta-A/B
oxygen carrier
oligomeric count: 4
pocket vol.: 585.0 Å3
d(Fe-oop): 0.124 Å
Not assigned.
3gqr-G-143
sad. +0.20
ruf. -0.41
dom. -0.24
bre. -0.36
HIS chainID: G,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 522.0 Å3
d(Fe-oop): 0.163 Å
HOH chainID: G, resSeq: 178,

molecule: water

3gqr-H-148
sad. +0.14
ruf. -0.43
dom. -0.52
bre. -0.29
HIS chainID: H,
resSeq: 92,
molecule: Hemoglobin subunit beta-A/B
oxygen carrier
oligomeric count: 4
pocket vol.: 555.0 Å3
d(Fe-oop): 0.037 Å
HOH chainID: H, resSeq: 160,

molecule: water

3gvy-A-162
sad. -0.68
ruf. +0.20
dom. +0.22
bre. -0.40
MET chainID: A,
resSeq: 52,
molecule: Bacterioferritin
oxidoreductase
oligomeric count: 24
pocket vol.: 566.0 Å3
d(Fe-oop): 0.200 Å
MET chainID: C, resSeq: 52,

molecule: Bacterioferritin

3gvy-B-162
sad. -0.89
ruf. -0.26
dom. -0.10
bre. -0.35
MET chainID: B,
resSeq: 52,
molecule: Bacterioferritin
oxidoreductase
oligomeric count: 24
pocket vol.: 736.0 Å3
d(Fe-oop): 0.057 Å
Not assigned.
3gw9-A-480
sad. -0.15
ruf. -0.64
dom. -0.20
bre. +0.08
CYS chainID: A,
resSeq: 422,
molecule: STEROL 14ALPHA-DEMETHYLASE
oxidoreductase
oligomeric count: 1
pocket vol.: 422.0 Å3
d(Fe-oop): 0.073 Å
VNI chainID: A, resSeq: 490,

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

3gw9-B-480
sad. -0.10
ruf. -0.71
dom. -0.21
bre. +0.02
CYS chainID: B,
resSeq: 422,
molecule: STEROL 14ALPHA-DEMETHYLASE
oxidoreductase
oligomeric count: 1
pocket vol.: 428.0 Å3
d(Fe-oop): 0.020 Å
VNI chainID: B, resSeq: 490,

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

3gw9-C-480
sad. -0.07
ruf. -0.80
dom. -0.17
bre. +0.09
CYS chainID: C,
resSeq: 422,
molecule: STEROL 14ALPHA-DEMETHYLASE
oxidoreductase
oligomeric count: 1
pocket vol.: 417.0 Å3
d(Fe-oop): 0.036 Å
VNI chainID: C, resSeq: 490,

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

3gw9-D-480
sad. -0.10
ruf. -0.70
dom. -0.15
bre. +0.36
CYS chainID: D,
resSeq: 422,
molecule: STEROL 14ALPHA-DEMETHYLASE
oxidoreductase
oligomeric count: 1
pocket vol.: 441.0 Å3
d(Fe-oop): 0.014 Å
VNI chainID: D, resSeq: 490,

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

3gys-A-143
sad. +0.31
ruf. -0.10
dom. -0.37
bre. -0.25
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 554.0 Å3
d(Fe-oop): 0.143 Å
HOH chainID: A, resSeq: 142,

molecule: water