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PyDISH No: 05001

PDB: 3a15,
chainID: B, resSeq: 354
heme type: B

distortion

Protein data

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

axial ligand #1: HIS

chainID: B,
resSeq: 299,
Coordination distance[Å]: 2.041
molecule: Aldoxime dehydratase
EC number: 4.99.1.5
Organism: Rhodococcus erythropolis

axial ligand #2: HOH

chainID: B,
resSeq: 401,
Coordination distance[Å]: 2.182
molecule: water

List of other hemes in pdb:3a15

ID of heme	Distortion	Axial ligands on heme		Function & structure
3a15-A-354	`sad. -0.14 ruf. +0.90 dom. -0.42 bre. -0.09`	HIS	chainID: A, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 478.0 Å³ d(Fe-oop): 0.120 Å
3a15-A-354	`sad. -0.14 ruf. +0.90 dom. -0.42 bre. -0.09`	HOH	chainID: A, resSeq: 401, molecule: water
3a15-C-354	`sad. -0.12 ruf. +0.85 dom. -0.44 bre. -0.16`	HIS	chainID: C, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 470.0 Å³ d(Fe-oop): 0.095 Å
3a15-C-354	`sad. -0.12 ruf. +0.85 dom. -0.44 bre. -0.16`	HOH	chainID: C, resSeq: 401, molecule: water
3a15-D-354	`sad. +0.07 ruf. +1.06 dom. -0.25 bre. -0.06`	HIS	chainID: D, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 445.0 Å³ d(Fe-oop): 0.052 Å
3a15-D-354	`sad. +0.07 ruf. +1.06 dom. -0.25 bre. -0.06`	HOH	chainID: D, resSeq: 401, molecule: water