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PyDISH No: 05014

PDB: 3a17,
chainID: G, resSeq: 354
heme type: B

distortion

Protein data

function: lyase
experiment: X-RAY DIFFRACTION
resolution: 2.5 Å

axial ligand #1: HIS

chainID: G,
resSeq: 299,
Coordination distance[Å]: 1.956
molecule: Aldoxime dehydratase
EC number: 4.99.1.5
Organism: Rhodococcus erythropolis

axial ligand #2: BXO

chainID: G,
resSeq: 355,
Coordination distance[Å]: 1.964
molecule: (1Z)-butanal oxime

List of other hemes in pdb:3a17

ID of heme	Distortion	Axial ligands on heme		Function & structure
3a17-A-354	`sad. -0.13 ruf. +1.13 dom. -0.32 bre. -0.06`	HIS	chainID: A, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 451.0 Å³ d(Fe-oop): 0.079 Å
3a17-A-354	`sad. -0.13 ruf. +1.13 dom. -0.32 bre. -0.06`	BXO	chainID: A, resSeq: 355, molecule: (1Z)-butanal oxime
3a17-B-354	`sad. +0.17 ruf. +1.01 dom. -0.32 bre. -0.14`	HIS	chainID: B, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 457.0 Å³ d(Fe-oop): 0.049 Å
3a17-B-354	`sad. +0.17 ruf. +1.01 dom. -0.32 bre. -0.14`	BXO	chainID: B, resSeq: 355, molecule: (1Z)-butanal oxime
3a17-C-354	`sad. -0.11 ruf. +1.12 dom. -0.34 bre. -0.05`	HIS	chainID: C, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 441.0 Å³ d(Fe-oop): 0.079 Å
3a17-C-354	`sad. -0.11 ruf. +1.12 dom. -0.34 bre. -0.05`	BXO	chainID: C, resSeq: 355, molecule: (1Z)-butanal oxime
3a17-D-354	`sad. +0.17 ruf. +1.01 dom. -0.32 bre. -0.14`	HIS	chainID: D, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 451.0 Å³ d(Fe-oop): 0.050 Å
3a17-D-354	`sad. +0.17 ruf. +1.01 dom. -0.32 bre. -0.14`	BXO	chainID: D, resSeq: 355, molecule: (1Z)-butanal oxime
3a17-E-354	`sad. -0.12 ruf. +1.12 dom. -0.33 bre. -0.06`	HIS	chainID: E, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 427.0 Å³ d(Fe-oop): 0.088 Å
3a17-E-354	`sad. -0.12 ruf. +1.12 dom. -0.33 bre. -0.06`	BXO	chainID: E, resSeq: 355, molecule: (1Z)-butanal oxime
3a17-F-354	`sad. +0.17 ruf. +1.01 dom. -0.33 bre. -0.13`	HIS	chainID: F, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 448.0 Å³ d(Fe-oop): 0.039 Å
3a17-F-354	`sad. +0.17 ruf. +1.01 dom. -0.33 bre. -0.13`	BXO	chainID: F, resSeq: 355, molecule: (1Z)-butanal oxime
3a17-H-354	`sad. +0.17 ruf. +1.01 dom. -0.31 bre. -0.14`	HIS	chainID: H, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 429.0 Å³ d(Fe-oop): 0.043 Å
3a17-H-354	`sad. +0.17 ruf. +1.01 dom. -0.31 bre. -0.14`	BXO	chainID: H, resSeq: 355, molecule: (1Z)-butanal oxime