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PyDISH No: 05016

PDB: 3a18,
chainID: A, resSeq: 354
heme type: B

distortion

Protein data

function: lyase
experiment: X-RAY DIFFRACTION
resolution: 1.8 Å

axial ligand #1: HIS

chainID: A,
resSeq: 299,
Coordination distance[Å]: 2.179
molecule: Aldoxime dehydratase
EC number: 4.99.1.5
Organism: Rhodococcus erythropolis

axial ligand #2: BXO

chainID: A,
resSeq: 355,
Coordination distance[Å]: 2.206
molecule: (1Z)-butanal oxime

List of other hemes in pdb:3a18

ID of heme	Distortion	Axial ligands on heme		Function & structure
3a18-B-354	`sad. -0.10 ruf. +0.98 dom. -0.29 bre. -0.16`	HIS	chainID: B, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 473.0 Å³ d(Fe-oop): 0.053 Å
3a18-B-354	`sad. -0.10 ruf. +0.98 dom. -0.29 bre. -0.16`	BXO	chainID: B, resSeq: 355, molecule: (1Z)-butanal oxime
3a18-C-354	`sad. -0.07 ruf. +0.86 dom. -0.32 bre. -0.19`	HIS	chainID: C, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 463.0 Å³ d(Fe-oop): 0.038 Å
3a18-C-354	`sad. -0.07 ruf. +0.86 dom. -0.32 bre. -0.19`	BXO	chainID: C, resSeq: 355, molecule: (1Z)-butanal oxime
3a18-D-354	`sad. -0.07 ruf. +0.96 dom. -0.26 bre. -0.16`	HIS	chainID: D, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 443.0 Å³ d(Fe-oop): 0.072 Å
3a18-D-354	`sad. -0.07 ruf. +0.96 dom. -0.26 bre. -0.16`	BXO	chainID: D, resSeq: 355, molecule: (1Z)-butanal oxime