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PyDISH No: 00164

PDB: 1b86,
chainID: D, resSeq: 691
heme type: B

distortion

Protein data

function: oxygen carrier
experiment: X-RAY DIFFRACTION
resolution: 2.5 Å

axial ligand #1: HIS

chainID: D,
resSeq: 635,
Coordination distance[Å]: 2.074
molecule: PROTEIN (HEMOGLOBIN; BETA CHAIN)
Organism: Homo sapiens

axial ligand #2: HOH

chainID: D,
resSeq: 127,
Coordination distance[Å]: 2.175
molecule: water

List of other hemes in pdb:1b86

ID of heme Distortion Axial ligands on heme Function & structure
1b86-A-143
sad. +0.23
ruf. -0.31
dom. -0.53
bre. -0.12
HIS chainID: A,
resSeq: 87,
molecule: PROTEIN (HEMOGLOBIN; ALPHA CHAIN)
oxygen carrier
oligomeric count: 4
pocket vol.: 556.0 Å3
d(Fe-oop): 0.212 Å
OXY chainID: A, resSeq: 144,
molecule: OXYGEN MOLECULE
1b86-B-291
sad. +0.33
ruf. +0.02
dom. -0.41
bre. -0.09
HIS chainID: B,
resSeq: 235,
molecule: PROTEIN (HEMOGLOBIN; BETA CHAIN)
oxygen carrier
oligomeric count: 4
pocket vol.: 529.0 Å3
d(Fe-oop): 0.217 Å
HOH chainID: B, resSeq: 126,
molecule: water
1b86-C-543
sad. +0.24
ruf. -0.43
dom. -0.67
bre. -0.02
HIS chainID: C,
resSeq: 487,
molecule: PROTEIN (HEMOGLOBIN; ALPHA CHAIN)
oxygen carrier
oligomeric count: 4
pocket vol.: 555.0 Å3
d(Fe-oop): 0.268 Å
OXY chainID: C, resSeq: 544,
molecule: OXYGEN MOLECULE