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ID of heme Axial ligands on heme Function & structure
3bcq-B-147
sad. +0.00
ruf. -0.09
dom. -0.37
bre. -0.30
HIS chainID: B,
resSeq: 92,
molecule: Beta-chain hemoglobin
oxygen carrier
oligomeric count: 4
pocket vol.: 562.0 Å3
d(Fe-oop): 0.006 Å
OXY chainID: B, resSeq: 148,

molecule: OXYGEN MOLECULE

3bcq-C-143
sad. +0.22
ruf. -0.28
dom. -0.16
bre. -0.48
HIS chainID: C,
resSeq: 88,
molecule: Alpha-chain hemoglobin
oxygen carrier
oligomeric count: 4
pocket vol.: 528.0 Å3
d(Fe-oop): 0.019 Å
OXY chainID: C, resSeq: 144,

molecule: OXYGEN MOLECULE

3bcq-D-147
sad. +0.14
ruf. -0.06
dom. -0.25
bre. -0.20
HIS chainID: D,
resSeq: 92,
molecule: Beta-chain hemoglobin
oxygen carrier
oligomeric count: 4
pocket vol.: 567.0 Å3
d(Fe-oop): 0.038 Å
OXY chainID: D, resSeq: 148,

molecule: OXYGEN MOLECULE

3bdz-A-450
sad. -0.53
ruf. -0.29
dom. +0.12
bre. -0.02
CYS chainID: A,
resSeq: 347,
molecule: P450cin
oxidoreductase
oligomeric count: 1
pocket vol.: 422.0 Å3
d(Fe-oop): 0.103 Å
MLI chainID: A, resSeq: 500,

molecule: MALONATE ION

3bdz-B-450
sad. -0.60
ruf. -0.36
dom. +0.17
bre. -0.12
CYS chainID: B,
resSeq: 347,
molecule: P450cin
oxidoreductase
oligomeric count: 1
pocket vol.: 434.0 Å3
d(Fe-oop): 0.036 Å
MLI chainID: B, resSeq: 500,

molecule: MALONATE ION

3be0-A-450
sad. -0.89
ruf. -0.55
dom. -0.08
bre. -0.01
CYS chainID: A,
resSeq: 347,
molecule: P450cin
oxidoreductase
oligomeric count: 1
pocket vol.: 409.0 Å3
d(Fe-oop): 0.045 Å
Not assigned.
3be0-B-450
sad. -1.01
ruf. -0.68
dom. +0.16
bre. -0.07
CYS chainID: B,
resSeq: 347,
molecule: P450cin
oxidoreductase
oligomeric count: 1
pocket vol.: 449.0 Å3
d(Fe-oop): 0.104 Å
Not assigned.
3ben-A-470
sad. +0.02
ruf. -0.18
dom. -0.01
bre. -0.20
CYS chainID: A,
resSeq: 400,
molecule: Cytochrome P450 102
oxidoreductase
oligomeric count: 1
pocket vol.: 467.0 Å3
d(Fe-oop): 0.192 Å
LEH chainID: A, resSeq: 500,

molecule: N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine

3ben-B-471
sad. -0.07
ruf. -0.22
dom. -0.24
bre. -0.13
CYS chainID: B,
resSeq: 400,
molecule: Cytochrome P450 102
oxidoreductase
oligomeric count: 1
pocket vol.: 450.0 Å3
d(Fe-oop): 0.253 Å
LEH chainID: B, resSeq: 500,

molecule: N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine

3bj1-A-143
sad. +0.06
ruf. -0.16
dom. -0.33
bre. -0.15
HIS chainID: A,
resSeq: 88,
molecule: hemoglobin alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 545.0 Å3
d(Fe-oop): 0.071 Å
HOH chainID: A, resSeq: 173,

molecule: water

3bj1-B-148
sad. +0.12
ruf. -0.18
dom. -0.27
bre. -0.11
HIS chainID: B,
resSeq: 92,
molecule: hemoglobin beta
oxygen carrier
oligomeric count: 4
pocket vol.: 557.0 Å3
d(Fe-oop): 0.082 Å
HOH chainID: B, resSeq: 199,

molecule: water

3bj1-C-143
sad. -0.01
ruf. -0.16
dom. -0.23
bre. -0.17
HIS chainID: C,
resSeq: 88,
molecule: hemoglobin alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 521.0 Å3
d(Fe-oop): 0.071 Å
HOH chainID: C, resSeq: 178,

molecule: water

3bj1-D-148
sad. +0.09
ruf. -0.07
dom. -0.22
bre. -0.22
HIS chainID: D,
resSeq: 92,
molecule: hemoglobin beta
oxygen carrier
oligomeric count: 4
pocket vol.: 581.0 Å3
d(Fe-oop): 0.166 Å
HOH chainID: D, resSeq: 236,

molecule: water

3bj2-A-143
sad. +0.14
ruf. -0.22
dom. -0.34
bre. -0.15
HIS chainID: A,
resSeq: 88,
molecule: hemoglobin alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 568.0 Å3
d(Fe-oop): 0.050 Å
HOH chainID: A, resSeq: 144,

molecule: water

3bj2-B-148
sad. +0.07
ruf. -0.05
dom. -0.27
bre. -0.14
HIS chainID: B,
resSeq: 92,
molecule: hemoglobin beta
oxygen carrier
oligomeric count: 4
pocket vol.: 546.0 Å3
d(Fe-oop): 0.059 Å
HOH chainID: B, resSeq: 150,

molecule: water

3bj2-C-143
sad. +0.02
ruf. -0.20
dom. -0.16
bre. -0.23
HIS chainID: C,
resSeq: 88,
molecule: hemoglobin alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 562.0 Å3
d(Fe-oop): 0.035 Å
HOH chainID: C, resSeq: 145,

molecule: water

3bj2-D-148
sad. +0.10
ruf. -0.11
dom. -0.26
bre. -0.28
HIS chainID: D,
resSeq: 92,
molecule: hemoglobin beta
oxygen carrier
oligomeric count: 4
pocket vol.: 576.0 Å3
d(Fe-oop): 0.112 Å
HOH chainID: D, resSeq: 201,

molecule: water

3bj3-A-143
sad. +0.11
ruf. -0.13
dom. -0.22
bre. -0.27
HIS chainID: A,
resSeq: 88,
molecule: hemoglobin alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 564.0 Å3
d(Fe-oop): 0.004 Å
HOH chainID: A, resSeq: 150,

molecule: water

3bj3-B-148
sad. +0.16
ruf. -0.26
dom. -0.20
bre. -0.21
HIS chainID: B,
resSeq: 92,
molecule: hemoglobin beta
oxygen carrier
oligomeric count: 4
pocket vol.: 564.0 Å3
d(Fe-oop): 0.118 Å
HOH chainID: B, resSeq: 153,

molecule: water

3bj3-C-143
sad. +0.05
ruf. -0.18
dom. -0.17
bre. -0.24
HIS chainID: C,
resSeq: 88,
molecule: hemoglobin alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 530.0 Å3
d(Fe-oop): 0.069 Å
HOH chainID: C, resSeq: 145,

molecule: water