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ID of heme Axial ligands on heme Function & structure
2oro-A-600
sad. -0.29
ruf. -0.71
dom. -0.04
bre. -0.07
CYS chainID: A,
resSeq: 194,
molecule: nitric oxide synthase, inducible
oxidoreductase
oligomeric count: 1
pocket vol.: 545.0 Å3
d(Fe-oop): 0.010 Å
228 chainID: A, resSeq: 601,

molecule: N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE

2orp-A-600
sad. -0.19
ruf. -0.38
dom. +0.03
bre. -0.10
CYS chainID: A,
resSeq: 194,
molecule: nitric oxide synthase, inducible
oxidoreductase
oligomeric count: 1
pocket vol.: 510.0 Å3
d(Fe-oop): 0.002 Å
R86 chainID: A, resSeq: 601,

molecule: 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE

2orq-A-600
sad. -0.29
ruf. -0.52
dom. +0.10
bre. -0.03
CYS chainID: A,
resSeq: 194,
molecule: Nitric oxide synthase, inducible
oxidoreductase
oligomeric count: 2
pocket vol.: 521.0 Å3
d(Fe-oop): 0.009 Å
MSR chainID: A, resSeq: 601,

molecule: 4-(1H-IMIDAZOL-1-YL)PHENOL

2orr-A-600
sad. -0.32
ruf. -0.61
dom. +0.15
bre. -0.13
CYS chainID: A,
resSeq: 194,
molecule: Nitric oxide synthase, inducible
oxidoreductase
oligomeric count: 2
pocket vol.: 536.0 Å3
d(Fe-oop): 0.013 Å
333 chainID: A, resSeq: 601,

molecule: 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE

2ors-A-600
sad. -0.18
ruf. -0.59
dom. +0.10
bre. -0.12
CYS chainID: A,
resSeq: 194,
molecule: Nitric oxide synthase, inducible
oxidoreductase
oligomeric count: 2
pocket vol.: 544.0 Å3
d(Fe-oop): 0.004 Å
391 chainID: A, resSeq: 601,

molecule: 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE

2ort-A-600
sad. -0.35
ruf. -0.56
dom. -0.00
bre. -0.14
CYS chainID: A,
resSeq: 194,
molecule: Nitric oxide synthase, inducible
oxidoreductase
oligomeric count: 2
pocket vol.: 518.0 Å3
d(Fe-oop): 0.007 Å
342 chainID: A, resSeq: 601,

molecule: (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE

2ot4-A-1004
sad. +0.55
ruf. -0.45
dom. +0.14
bre. -0.04
LYS chainID: A,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 408.0 Å3
d(Fe-oop): 0.015 Å
HOH chainID: A, resSeq: 2972,

molecule: water

2ot4-A-1005
sad. +1.14
ruf. -0.37
dom. -0.04
bre. -0.00
HIS chainID: A,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 476.0 Å3
d(Fe-oop): 0.007 Å
HIS chainID: A, resSeq: 398,

molecule: Eight-heme nitrite reductase

2ot4-A-1006
sad. -0.23
ruf. -0.77
dom. +0.18
bre. -0.02
HIS chainID: A,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 412.0 Å3
d(Fe-oop): 0.003 Å
HIS chainID: A, resSeq: 300,

molecule: Eight-heme nitrite reductase

2ot4-A-1007
sad. +0.76
ruf. -0.66
dom. -0.10
bre. +0.02
HIS chainID: A,
resSeq: 383,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 433.0 Å3
d(Fe-oop): 0.022 Å
HIS chainID: A, resSeq: 491,

molecule: Eight-heme nitrite reductase

2ot4-A-1008
sad. -0.47
ruf. -0.89
dom. +0.17
bre. +0.05
HIS chainID: A,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 649.0 Å3
d(Fe-oop): 0.027 Å
HIS chainID: A, resSeq: 415,

molecule: Eight-heme nitrite reductase

2ot4-A-1002
sad. -0.12
ruf. -0.47
dom. +0.00
bre. -0.07
HIS chainID: A,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 376.0 Å3
d(Fe-oop): 0.034 Å
HIS chainID: A, resSeq: 234,

molecule: Eight-heme nitrite reductase

2ot4-A-1003
sad. +0.35
ruf. -0.55
dom. +0.00
bre. -0.04
HIS chainID: A,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 511.0 Å3
d(Fe-oop): 0.036 Å
HIS chainID: A, resSeq: 70,

molecule: Eight-heme nitrite reductase

2ot4-A-1001
sad. +0.04
ruf. -0.30
dom. -0.03
bre. -0.10
HIS chainID: A,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 425.0 Å3
d(Fe-oop): 0.034 Å
HIS chainID: A, resSeq: 44,

molecule: Eight-heme nitrite reductase

2ot4-B-1004
sad. +0.54
ruf. -0.48
dom. +0.15
bre. -0.05
LYS chainID: B,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 402.0 Å3
d(Fe-oop): 0.010 Å
HOH chainID: B, resSeq: 2765,

molecule: water

2ot4-B-1005
sad. +1.12
ruf. -0.35
dom. -0.03
bre. +0.04
HIS chainID: B,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 492.0 Å3
d(Fe-oop): 0.024 Å
HIS chainID: B, resSeq: 398,

molecule: Eight-heme nitrite reductase

2ot4-B-1006
sad. -0.24
ruf. -0.79
dom. +0.21
bre. -0.01
HIS chainID: B,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 409.0 Å3
d(Fe-oop): 0.008 Å
HIS chainID: B, resSeq: 300,

molecule: Eight-heme nitrite reductase

2ot4-B-1007
sad. +0.78
ruf. -0.67
dom. -0.13
bre. +0.00
HIS chainID: B,
resSeq: 383,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 423.0 Å3
d(Fe-oop): 0.023 Å
HIS chainID: B, resSeq: 491,

molecule: Eight-heme nitrite reductase

2ot4-B-1008
sad. -0.41
ruf. -1.06
dom. +0.21
bre. +0.10
HIS chainID: B,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 652.0 Å3
d(Fe-oop): 0.005 Å
HIS chainID: B, resSeq: 415,

molecule: Eight-heme nitrite reductase

2ot4-B-1002
sad. -0.11
ruf. -0.39
dom. -0.00
bre. -0.05
HIS chainID: B,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 355.0 Å3
d(Fe-oop): 0.026 Å
HIS chainID: B, resSeq: 234,

molecule: Eight-heme nitrite reductase