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PyDISH No: 19213

PDB: 9hec,
chainID: C, resSeq: 404
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.2 Å
origomeric count: 1

axial ligand #1: CYS

chainID: C,
resSeq: 52,
Coordination distance[Å]: 2.289
molecule: Heme-thiolate peroxidase
EC number: 1.11.2.1
Organism: Candolleomyces aberdarensis

axial ligand #2: A1IUB

chainID: C,
resSeq: 401,
Coordination distance[Å]: 2.767
molecule: alpha-ionone

List of other hemes in pdb:9hec

ID of heme	Distortion	Axial ligands on heme		Function & structure
9hec-A-404	`sad. -0.38 ruf. +0.20 dom. -0.14 bre. +0.03`	CYS	chainID: A, resSeq: 52, molecule: Heme-thiolate peroxidase	oxidoreductase oligomeric count: 1 pocket vol.: 411.0 Å³ d(Fe-oop): 0.185 Å
9hec-A-404	`sad. -0.38 ruf. +0.20 dom. -0.14 bre. +0.03`	A1IUB	chainID: A, resSeq: 401, molecule: alpha-ionone
9hec-B-404	`sad. -0.32 ruf. +0.21 dom. -0.06 bre. +0.11`	CYS	chainID: B, resSeq: 52, molecule: Heme-thiolate peroxidase	oxidoreductase oligomeric count: 1 pocket vol.: 422.0 Å³ d(Fe-oop): 0.135 Å
9hec-B-404	`sad. -0.32 ruf. +0.21 dom. -0.06 bre. +0.11`	ACT	chainID: B, resSeq: 403, molecule: ACETATE ION