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PyDISH No: 05302

PDB: 3cy5,
chainID: A, resSeq: 142
heme type: B

distortion

Protein data

function: oxygen carrier
experiment: X-RAY DIFFRACTION
resolution: 2.0 Å

axial ligand #1: HIS

chainID: A,
resSeq: 87,
Coordination distance[Å]: 2.155
molecule: Hemoglobin subunit alpha-2
Organism: Bubalus bubalis

axial ligand #2: HOH

chainID: A,
resSeq: 154,
Coordination distance[Å]: 2.048
molecule: water

List of other hemes in pdb:3cy5

ID of heme Distortion Axial ligands on heme Function & structure
3cy5-B-147
sad. +0.08
ruf. -0.42
dom. -0.15
bre. -0.29
HIS chainID: B,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 535.0 Å3
d(Fe-oop): 0.022 Å
HOH chainID: B, resSeq: 174,
molecule: water
3cy5-C-142
sad. +0.14
ruf. -0.51
dom. -0.28
bre. -0.32
HIS chainID: C,
resSeq: 87,
molecule: Hemoglobin subunit alpha-2
oxygen carrier
oligomeric count: 4
pocket vol.: 528.0 Å3
d(Fe-oop): 0.010 Å
HOH chainID: C, resSeq: 169,
molecule: water
3cy5-D-147
sad. +0.42
ruf. -0.39
dom. -0.37
bre. -0.28
HIS chainID: D,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 554.0 Å3
d(Fe-oop): 0.052 Å
HOH chainID: D, resSeq: 167,
molecule: water