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PyDISH No: 02413

PDB: 1shr,
chainID: B, resSeq: 347
heme type: B

function: oxygen carrier
experiment: X-RAY DIFFRACTION
resolution: 1.88 Å

chainID: B,
resSeq: 92,
Coordination distance[Å]: 2.199
molecule: Hemoglobin delta chain
Organism: Homo sapiens

chainID: B,
resSeq: 348,
Coordination distance[Å]: 2.364
molecule: CYANIDE ION

ID of heme	Distortion	Axial ligands on heme		Function & structure
1shr-A-142	`sad. +0.21 ruf. -0.04 dom. -0.05 bre. -0.25`	HIS	chainID: A, resSeq: 87, molecule: Hemoglobin alpha chain	oxygen carrier oligomeric count: 4 pocket vol.: 557.0 Å³ d(Fe-oop): 0.013 Å
1shr-A-142	`sad. +0.21 ruf. -0.04 dom. -0.05 bre. -0.25`	CYN	chainID: A, resSeq: 143, molecule: CYANIDE ION
1shr-C-542	`sad. +0.20 ruf. -0.06 dom. -0.07 bre. -0.23`	HIS	chainID: C, resSeq: 87, molecule: Hemoglobin alpha chain	oxygen carrier oligomeric count: 4 pocket vol.: 551.0 Å³ d(Fe-oop): 0.019 Å
1shr-C-542	`sad. +0.20 ruf. -0.06 dom. -0.07 bre. -0.23`	CYN	chainID: C, resSeq: 543, molecule: CYANIDE ION
1shr-D-747	`sad. +0.02 ruf. -0.05 dom. -0.07 bre. -0.29`	HIS	chainID: D, resSeq: 92, molecule: Hemoglobin delta chain	oxygen carrier oligomeric count: 4 pocket vol.: 524.0 Å³ d(Fe-oop): 0.021 Å
1shr-D-747	`sad. +0.02 ruf. -0.05 dom. -0.07 bre. -0.29`	CYN	chainID: D, resSeq: 748, molecule: CYANIDE ION