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PyDISH No: 06848

PDB: 3q08,
chainID: B, resSeq: 1000
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 3.05 Å

axial ligand #1: HIS

chainID: B,
resSeq: 170,
Coordination distance[Å]: 2.592
molecule: Chlorite dismutase
EC number: 1.13.11.49
Organism: Dechloromonas aromatica

axial ligand #2: NO2

chainID: B,
resSeq: 2000,
Coordination distance[Å]: 1.669
molecule: NITRITE ION

List of other hemes in pdb:3q08

ID of heme Distortion Axial ligands on heme Function & structure
3q08-A-1000
sad. -0.52
ruf. +0.10
dom. +0.09
bre. -0.07
HIS chainID: A,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 389.0 Å3
d(Fe-oop): 0.102 Å
NO2 chainID: A, resSeq: 2000,
molecule: NITRITE ION
3q08-C-1000
sad. -0.54
ruf. +0.13
dom. +0.09
bre. -0.02
HIS chainID: C,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 414.0 Å3
d(Fe-oop): 0.083 Å
NO2 chainID: C, resSeq: 2000,
molecule: NITRITE ION
3q08-D-1000
sad. -0.50
ruf. +0.07
dom. +0.05
bre. -0.05
HIS chainID: D,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 388.0 Å3
d(Fe-oop): 0.106 Å
NO2 chainID: D, resSeq: 2000,
molecule: NITRITE ION
3q08-E-1000
sad. -0.46
ruf. +0.13
dom. +0.11
bre. -0.10
HIS chainID: E,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 403.0 Å3
d(Fe-oop): 0.054 Å
NO2 chainID: E, resSeq: 2000,
molecule: NITRITE ION
3q08-F-1000
sad. -0.41
ruf. +0.09
dom. +0.15
bre. -0.13
HIS chainID: F,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 398.0 Å3
d(Fe-oop): 0.069 Å
NO2 chainID: F, resSeq: 2000,
molecule: NITRITE ION
3q08-G-1000
sad. -0.49
ruf. +0.07
dom. +0.05
bre. -0.11
HIS chainID: G,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 392.0 Å3
d(Fe-oop): 0.120 Å
NO2 chainID: G, resSeq: 2000,
molecule: NITRITE ION
3q08-H-1000
sad. -0.49
ruf. +0.10
dom. +0.06
bre. -0.01
HIS chainID: H,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 397.0 Å3
d(Fe-oop): 0.074 Å
NO2 chainID: H, resSeq: 2000,
molecule: NITRITE ION
3q08-I-1000
sad. -0.50
ruf. +0.08
dom. +0.07
bre. -0.12
HIS chainID: I,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 399.0 Å3
d(Fe-oop): 0.125 Å
NO2 chainID: I, resSeq: 2000,
molecule: NITRITE ION
3q08-J-1000
sad. -0.38
ruf. +0.03
dom. +0.11
bre. -0.16
HIS chainID: J,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 398.0 Å3
d(Fe-oop): 0.086 Å
NO2 chainID: J, resSeq: 2000,
molecule: NITRITE ION
3q08-K-1000
sad. -0.38
ruf. -0.01
dom. +0.09
bre. -0.05
HIS chainID: K,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 400.0 Å3
d(Fe-oop): 0.139 Å
NO2 chainID: K, resSeq: 2000,
molecule: NITRITE ION
3q08-L-1000
sad. -0.39
ruf. +0.09
dom. +0.10
bre. -0.15
HIS chainID: L,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 410.0 Å3
d(Fe-oop): 0.088 Å
NO2 chainID: L, resSeq: 2000,
molecule: NITRITE ION
3q08-M-1000
sad. -0.58
ruf. +0.08
dom. +0.11
bre. -0.12
HIS chainID: M,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 429.0 Å3
d(Fe-oop): 0.197 Å
NO2 chainID: M, resSeq: 2000,
molecule: NITRITE ION
3q08-N-1000
sad. -0.52
ruf. +0.17
dom. +0.04
bre. -0.13
HIS chainID: N,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 417.0 Å3
d(Fe-oop): 0.089 Å
NO2 chainID: N, resSeq: 2000,
molecule: NITRITE ION
3q08-O-1000
sad. -0.48
ruf. +0.13
dom. +0.07
bre. -0.06
HIS chainID: O,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 413.0 Å3
d(Fe-oop): 0.119 Å
NO2 chainID: O, resSeq: 2000,
molecule: NITRITE ION
3q08-P-1000
sad. -0.55
ruf. +0.06
dom. -0.01
bre. -0.11
HIS chainID: P,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 414.0 Å3
d(Fe-oop): 0.105 Å
NO2 chainID: P, resSeq: 2000,
molecule: NITRITE ION
3q08-Q-1000
sad. -0.60
ruf. +0.12
dom. +0.03
bre. -0.23
HIS chainID: Q,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 428.0 Å3
d(Fe-oop): 0.150 Å
NO2 chainID: Q, resSeq: 2000,
molecule: NITRITE ION
3q08-R-1000
sad. -0.59
ruf. +0.14
dom. +0.11
bre. -0.18
HIS chainID: R,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 418.0 Å3
d(Fe-oop): 0.149 Å
NO2 chainID: R, resSeq: 2000,
molecule: NITRITE ION
3q08-S-1000
sad. -0.36
ruf. +0.09
dom. +0.04
bre. -0.23
HIS chainID: S,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 383.0 Å3
d(Fe-oop): 0.026 Å
NO2 chainID: S, resSeq: 2000,
molecule: NITRITE ION
3q08-T-1000
sad. -0.34
ruf. +0.16
dom. -0.00
bre. -0.22
HIS chainID: T,
resSeq: 170,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 406.0 Å3
d(Fe-oop): 0.195 Å
NO2 chainID: T, resSeq: 2000,
molecule: NITRITE ION