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PyDISH No: 07000

PDB: 3r5i,
chainID: D, resSeq: 148
heme type: B

distortion

Protein data

function: oxygen carrier
experiment: X-RAY DIFFRACTION
resolution: 2.2 Å
origomeric count: 4

axial ligand #1: HIS

chainID: D,
resSeq: 92,
Coordination distance[Å]: 2.118
molecule: Hemoglobin subunit beta
Organism: Homo sapiens

axial ligand #2: OXY

chainID: D,
resSeq: 147,
Coordination distance[Å]: 1.855
molecule: OXYGEN MOLECULE

List of other hemes in pdb:3r5i

ID of heme Distortion Axial ligands on heme Function & structure
3r5i-A-143
sad. +0.08
ruf. -0.26
dom. -0.26
bre. -0.20
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 509.0 Å3
d(Fe-oop): 0.051 Å
OXY chainID: A, resSeq: 142,
molecule: OXYGEN MOLECULE
3r5i-B-148
sad. +0.29
ruf. -0.30
dom. -0.12
bre. -0.23
HIS chainID: B,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 560.0 Å3
d(Fe-oop): 0.010 Å
OXY chainID: B, resSeq: 147,
molecule: OXYGEN MOLECULE
3r5i-C-143
sad. +0.25
ruf. -0.12
dom. -0.31
bre. -0.19
HIS chainID: C,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 516.0 Å3
d(Fe-oop): 0.033 Å
OXY chainID: C, resSeq: 142,
molecule: OXYGEN MOLECULE