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PyDISH No: 05007

PDB: 3a16,
chainID: D, resSeq: 354
heme type: B

distortion

Protein data

function: lyase
experiment: X-RAY DIFFRACTION
resolution: 1.6 Å

axial ligand #1: HIS

chainID: D,
resSeq: 299,
Coordination distance[Å]: 2.173
molecule: Aldoxime dehydratase
EC number: 4.99.1.5
Organism: Rhodococcus erythropolis

axial ligand #2: PXO

chainID: D,
resSeq: 355,
Coordination distance[Å]: 2.131
molecule: (1Z)-propanal oxime

List of other hemes in pdb:3a16

ID of heme	Distortion	Axial ligands on heme		Function & structure
3a16-A-354	`sad. -0.08 ruf. +0.81 dom. -0.50 bre. -0.13`	HIS	chainID: A, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 473.0 Å³ d(Fe-oop): 0.205 Å
3a16-A-354	`sad. -0.08 ruf. +0.81 dom. -0.50 bre. -0.13`	PXO	chainID: A, resSeq: 355, molecule: (1Z)-propanal oxime
3a16-B-354	`sad. -0.06 ruf. +0.85 dom. -0.39 bre. -0.14`	HIS	chainID: B, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 450.0 Å³ d(Fe-oop): 0.145 Å
3a16-B-354	`sad. -0.06 ruf. +0.85 dom. -0.39 bre. -0.14`	PXO	chainID: B, resSeq: 355, molecule: (1Z)-propanal oxime
3a16-C-354	`sad. -0.06 ruf. +0.81 dom. -0.47 bre. -0.12`	HIS	chainID: C, resSeq: 299, molecule: Aldoxime dehydratase	lyase oligomeric count: 2 pocket vol.: 489.0 Å³ d(Fe-oop): 0.146 Å
3a16-C-354	`sad. -0.06 ruf. +0.81 dom. -0.47 bre. -0.12`	PXO	chainID: C, resSeq: 355, molecule: (1Z)-propanal oxime