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PyDISH No: 10310

PDB: 5a13,
chainID: E, resSeq: 250
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.75 Å

axial ligand #1: HIS

chainID: E,
resSeq: 170,
Coordination distance[Å]: 2.112
molecule: CHLORITE DISMUTASE
EC number: 1.13.11.49
Organism: MAGNETOSPIRILLUM SP.

axial ligand #2: SCN

chainID: E,
resSeq: 251,
Coordination distance[Å]: 1.98
molecule: THIOCYANATE ION

List of other hemes in pdb:5a13

ID of heme Distortion Axial ligands on heme Function & structure
5a13-A-250
sad. -0.35
ruf. +0.31
dom. -0.24
bre. +0.04
HIS chainID: A,
resSeq: 170,
molecule: CHLORITE DISMUTASE
oxidoreductase
oligomeric count: 5
pocket vol.: 389.0 Å3
d(Fe-oop): 0.058 Å
SCN chainID: A, resSeq: 251,
molecule: THIOCYANATE ION
5a13-B-250
sad. -0.20
ruf. +0.45
dom. -0.12
bre. -0.08
HIS chainID: B,
resSeq: 170,
molecule: CHLORITE DISMUTASE
oxidoreductase
oligomeric count: 5
pocket vol.: 393.0 Å3
d(Fe-oop): 0.029 Å
SCN chainID: B, resSeq: 251,
molecule: THIOCYANATE ION
5a13-C-250
sad. -0.57
ruf. +0.24
dom. -0.32
bre. -0.01
HIS chainID: C,
resSeq: 170,
molecule: CHLORITE DISMUTASE
oxidoreductase
oligomeric count: 5
pocket vol.: 403.0 Å3
d(Fe-oop): 0.060 Å
SCN chainID: C, resSeq: 251,
molecule: THIOCYANATE ION
5a13-D-250
sad. -0.15
ruf. +0.44
dom. -0.09
bre. -0.04
HIS chainID: D,
resSeq: 170,
molecule: CHLORITE DISMUTASE
oxidoreductase
oligomeric count: 5
pocket vol.: 413.0 Å3
d(Fe-oop): 0.062 Å
SCN chainID: D, resSeq: 251,
molecule: THIOCYANATE ION
5a13-F-250
sad. -0.29
ruf. +0.33
dom. -0.19
bre. +0.01
HIS chainID: F,
resSeq: 170,
molecule: CHLORITE DISMUTASE
oxidoreductase
oligomeric count: 5
pocket vol.: 405.0 Å3
d(Fe-oop): 0.042 Å
SCN chainID: F, resSeq: 251,
molecule: THIOCYANATE ION
5a13-G-250
sad. -0.19
ruf. +0.36
dom. -0.17
bre. -0.03
HIS chainID: G,
resSeq: 170,
molecule: CHLORITE DISMUTASE
oxidoreductase
oligomeric count: 5
pocket vol.: 397.0 Å3
d(Fe-oop): 0.034 Å
SCN chainID: G, resSeq: 251,
molecule: THIOCYANATE ION
5a13-H-250
sad. -0.35
ruf. +0.25
dom. -0.21
bre. +0.03
HIS chainID: H,
resSeq: 170,
molecule: CHLORITE DISMUTASE
oxidoreductase
oligomeric count: 5
pocket vol.: 409.0 Å3
d(Fe-oop): 0.056 Å
SCN chainID: H, resSeq: 251,
molecule: THIOCYANATE ION
5a13-I-250
sad. -0.25
ruf. +0.35
dom. -0.13
bre. +0.01
HIS chainID: I,
resSeq: 170,
molecule: CHLORITE DISMUTASE
oxidoreductase
oligomeric count: 5
pocket vol.: 400.0 Å3
d(Fe-oop): 0.041 Å
SCN chainID: I, resSeq: 251,
molecule: THIOCYANATE ION
5a13-J-250
sad. -0.17
ruf. +0.40
dom. -0.17
bre. +0.00
HIS chainID: J,
resSeq: 170,
molecule: CHLORITE DISMUTASE
oxidoreductase
oligomeric count: 5
pocket vol.: 410.0 Å3
d(Fe-oop): 0.030 Å
SCN chainID: J, resSeq: 251,
molecule: THIOCYANATE ION