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PyDISH No: 02412

PDB: 1shr,
chainID: A, resSeq: 142
heme type: B

distortion

Protein data

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

axial ligand #1: HIS

chainID: A,
resSeq: 87,
Coordination distance[Å]: 2.197
molecule: Hemoglobin alpha chain
Organism: Homo sapiens

axial ligand #2: CYN

chainID: A,
resSeq: 143,
Coordination distance[Å]: 2.383
molecule: CYANIDE ION

List of other hemes in pdb:1shr

ID of heme Distortion Axial ligands on heme Function & structure
1shr-B-347
sad. +0.19
ruf. -0.06
dom. -0.03
bre. -0.22
HIS chainID: B,
resSeq: 92,
molecule: Hemoglobin delta chain
oxygen carrier
oligomeric count: 4
pocket vol.: 553.0 Å3
d(Fe-oop): 0.006 Å
CYN chainID: B, resSeq: 348,
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
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
CYN chainID: D, resSeq: 748,
molecule: CYANIDE ION