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PyDISH No: 05191

PDB: 3bk9,
chainID: C, resSeq: 401
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.15 Å

axial ligand #1: HIS

chainID: C,
resSeq: 240,
Coordination distance[Å]: 2.289
molecule: Tryptophan 2,3-dioxygenase
EC number: 1.13.11.11
Organism: Xanthomonas campestris pv. campestris

axial ligand #2: HOH

chainID: C,
resSeq: 632,
Coordination distance[Å]: 2.877
molecule: water

List of other hemes in pdb:3bk9

ID of heme	Distortion	Axial ligands on heme		Function & structure
3bk9-A-401	`sad. +0.26 ruf. +0.03 dom. -0.19 bre. -0.17`	HIS	chainID: A, resSeq: 240, molecule: Tryptophan 2,3-dioxygenase	oxidoreductase oligomeric count: 4 pocket vol.: 495.0 Å³ d(Fe-oop): 0.027 Å
3bk9-A-401	`sad. +0.26 ruf. +0.03 dom. -0.19 bre. -0.17`	HOH	chainID: A, resSeq: 552, molecule: water
3bk9-B-401	`sad. +0.37 ruf. +0.15 dom. -0.07 bre. +0.03`	HIS	chainID: B, resSeq: 240, molecule: Tryptophan 2,3-dioxygenase	oxidoreductase oligomeric count: 4 pocket vol.: 467.0 Å³ d(Fe-oop): 0.028 Å
3bk9-B-401	`sad. +0.37 ruf. +0.15 dom. -0.07 bre. +0.03`	HOH	chainID: B, resSeq: 1541, molecule: water
3bk9-D-401	`sad. +0.19 ruf. -0.11 dom. +0.01 bre. +0.10`	HIS	chainID: D, resSeq: 240, molecule: Tryptophan 2,3-dioxygenase	oxidoreductase oligomeric count: 4 pocket vol.: 467.0 Å³ d(Fe-oop): 0.022 Å
3bk9-D-401	`sad. +0.19 ruf. -0.11 dom. +0.01 bre. +0.10`	HOH	chainID: D, resSeq: 621, molecule: water
3bk9-E-401	`sad. +0.42 ruf. +0.10 dom. -0.06 bre. -0.58`	HIS	chainID: E, resSeq: 240, molecule: Tryptophan 2,3-dioxygenase	oxidoreductase oligomeric count: 4 pocket vol.: 487.0 Å³ d(Fe-oop): 0.082 Å
3bk9-E-401	`sad. +0.42 ruf. +0.10 dom. -0.06 bre. -0.58`	HOH	chainID: E, resSeq: 642, molecule: water
3bk9-F-401	`sad. +0.37 ruf. -0.06 dom. +0.05 bre. -0.54`	HIS	chainID: F, resSeq: 240, molecule: Tryptophan 2,3-dioxygenase	oxidoreductase oligomeric count: 4 pocket vol.: 501.0 Å³ d(Fe-oop): 0.112 Å
3bk9-F-401	`sad. +0.37 ruf. -0.06 dom. +0.05 bre. -0.54`	HOH	chainID: F, resSeq: 662, molecule: water
3bk9-G-401	`sad. +0.38 ruf. -0.15 dom. -0.18 bre. -0.49`	HIS	chainID: G, resSeq: 240, molecule: Tryptophan 2,3-dioxygenase	oxidoreductase oligomeric count: 4 pocket vol.: 510.0 Å³ d(Fe-oop): 0.005 Å
3bk9-G-401	`sad. +0.38 ruf. -0.15 dom. -0.18 bre. -0.49`	HOH	chainID: G, resSeq: 663, molecule: water
3bk9-H-401	`sad. +0.23 ruf. +0.25 dom. +0.04 bre. -0.55`	HIS	chainID: H, resSeq: 240, molecule: Tryptophan 2,3-dioxygenase	oxidoreductase oligomeric count: 4 pocket vol.: 479.0 Å³ d(Fe-oop): 0.041 Å
3bk9-H-401	`sad. +0.23 ruf. +0.25 dom. +0.04 bre. -0.55`	HOH	chainID: H, resSeq: 1542, molecule: water