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PyDISH No: 06321

PDB: 3mkb,
chainID: A, resSeq: 141
heme type: B

function: oxygen carrier
experiment: X-RAY DIFFRACTION
resolution: 1.9 Å
origomeric count: 4

chainID: A,
resSeq: 58,
Coordination distance[Å]: 2.411
molecule: Hemoglobin subunit alpha
Organism: Isurus oxyrinchus

chainID: A,
resSeq: 87,
Coordination distance[Å]: 2.171
molecule: same as ligand #1

ID of heme	Distortion	Axial ligands on heme		Function & structure
3mkb-B-137	`sad. -0.31 ruf. -0.18 dom. -0.17 bre. -0.10`	HIS	chainID: B, resSeq: 82, molecule: Hemoglobin subunit beta	oxygen carrier oligomeric count: 4 pocket vol.: 594.0 Å³ d(Fe-oop): 0.117 Å
3mkb-B-137	`sad. -0.31 ruf. -0.18 dom. -0.17 bre. -0.10`	HOH	chainID: B, resSeq: 347, molecule: water
3mkb-C-141	`sad. +0.15 ruf. +0.26 dom. +0.05 bre. -0.33`	HIS	chainID: C, resSeq: 58, molecule: Hemoglobin subunit alpha	oxygen carrier oligomeric count: 4 pocket vol.: 546.0 Å³ d(Fe-oop): 0.034 Å
3mkb-C-141	`sad. +0.15 ruf. +0.26 dom. +0.05 bre. -0.33`	HIS	chainID: C, resSeq: 87, molecule: Hemoglobin subunit alpha
3mkb-D-137	`sad. -0.29 ruf. -0.08 dom. -0.24 bre. -0.17`	HIS	chainID: D, resSeq: 82, molecule: Hemoglobin subunit beta	oxygen carrier oligomeric count: 4 pocket vol.: 565.0 Å³ d(Fe-oop): 0.110 Å
3mkb-D-137	`sad. -0.29 ruf. -0.08 dom. -0.24 bre. -0.17`	HOH	chainID: D, resSeq: 175, molecule: water