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PyDISH No: 18023

PDB: 8u3p,
chainID: A, resSeq: 1002
heme type: B

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.79 Å

chainID: A,
resSeq: 270,
Coordination distance[Å]: 2.281
molecule: Catalase-peroxidase
Organism: Mycobacterium tuberculosis

chainID: A,
resSeq: 1311,
Coordination distance[Å]: 2.812
molecule: water

ID of heme	Distortion	Axial ligands on heme		Function & structure
8u3p-B-1002	`sad. -0.91 ruf. +0.09 dom. +0.09 bre. -0.12`	HIS	chainID: B, resSeq: 270, molecule: Catalase-peroxidase	oxidoreductase oligomeric count: 2 pocket vol.: 425.0 Å³ d(Fe-oop): 0.250 Å
8u3p-B-1002	`sad. -0.91 ruf. +0.09 dom. +0.09 bre. -0.12`	HOH	chainID: B, resSeq: 1322, molecule: water
8u3p-C-1002	`sad. -0.89 ruf. -0.01 dom. +0.12 bre. -0.16`	HIS	chainID: C, resSeq: 270, molecule: Catalase-peroxidase	oxidoreductase oligomeric count: 2 pocket vol.: 427.0 Å³ d(Fe-oop): 0.252 Å
8u3p-C-1002	`sad. -0.89 ruf. -0.01 dom. +0.12 bre. -0.16`	HOH	chainID: C, resSeq: 2868, molecule: water
8u3p-D-1002	`sad. -0.88 ruf. -0.03 dom. -0.05 bre. -0.15`	HIS	chainID: D, resSeq: 270, molecule: Catalase-peroxidase	oxidoreductase oligomeric count: 2 pocket vol.: 437.0 Å³ d(Fe-oop): 0.346 Å
8u3p-D-1002	`sad. -0.88 ruf. -0.03 dom. -0.05 bre. -0.15`	HOH	chainID: D, resSeq: 1483, molecule: water