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PyDISH No: 06545

PDB: 3nn1,
chainID: A, resSeq: 239
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.85 Å

axial ligand #1: HIS

chainID: A,
resSeq: 160,
Coordination distance[Å]: 2.116
molecule: Chlorite dismutase
EC number: 1.13.11.49
Organism: Candidatus Nitrospira defluvii

axial ligand #2: IMD

chainID: A,
resSeq: 243,
Coordination distance[Å]: 2.151
molecule: IMIDAZOLE

List of other hemes in pdb:3nn1

ID of heme	Distortion	Axial ligands on heme		Function & structure
3nn1-B-239	`sad. -0.47 ruf. +0.53 dom. -0.21 bre. -0.13`	HIS	chainID: B, resSeq: 160, molecule: Chlorite dismutase	oxidoreductase oligomeric count: 5 pocket vol.: 443.0 Å³ d(Fe-oop): 0.060 Å
3nn1-B-239	`sad. -0.47 ruf. +0.53 dom. -0.21 bre. -0.13`	IMD	chainID: B, resSeq: 243, molecule: IMIDAZOLE
3nn1-C-239	`sad. -0.48 ruf. +0.46 dom. -0.16 bre. -0.04`	HIS	chainID: C, resSeq: 160, molecule: Chlorite dismutase	oxidoreductase oligomeric count: 5 pocket vol.: 447.0 Å³ d(Fe-oop): 0.050 Å
3nn1-C-239	`sad. -0.48 ruf. +0.46 dom. -0.16 bre. -0.04`	IMD	chainID: C, resSeq: 242, molecule: IMIDAZOLE
3nn1-D-239	`sad. -0.47 ruf. +0.42 dom. -0.19 bre. -0.02`	HIS	chainID: D, resSeq: 160, molecule: Chlorite dismutase	oxidoreductase oligomeric count: 5 pocket vol.: 452.0 Å³ d(Fe-oop): 0.080 Å
3nn1-D-239	`sad. -0.47 ruf. +0.42 dom. -0.19 bre. -0.02`	IMD	chainID: D, resSeq: 243, molecule: IMIDAZOLE
3nn1-E-239	`sad. -0.48 ruf. +0.47 dom. -0.18 bre. -0.01`	HIS	chainID: E, resSeq: 160, molecule: Chlorite dismutase	oxidoreductase oligomeric count: 5 pocket vol.: 451.0 Å³ d(Fe-oop): 0.086 Å
3nn1-E-239	`sad. -0.48 ruf. +0.47 dom. -0.18 bre. -0.01`	IMD	chainID: E, resSeq: 244, molecule: IMIDAZOLE