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PyDISH No: 05321

PDB: 3d1a,
chainID: B, resSeq: 147
heme type: B

distortion

Protein data

function: oxygen carrier
experiment: X-RAY DIFFRACTION
resolution: 2.61 Å

axial ligand #1: HIS

chainID: B,
resSeq: 92,
Coordination distance[Å]: 2.374
molecule: Hemoglobin subunit beta-A
Organism: Capra hircus

axial ligand #2: HOH

chainID: B,
resSeq: 148,
Coordination distance[Å]: 2.008
molecule: water

List of other hemes in pdb:3d1a

ID of heme Distortion Axial ligands on heme Function & structure
3d1a-A-142
sad. -0.03
ruf. -0.07
dom. -0.51
bre. -0.18
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha-1/2
oxygen carrier
oligomeric count: 4
pocket vol.: 517.0 Å3
d(Fe-oop): 0.047 Å
HOH chainID: A, resSeq: 156,
molecule: water
3d1a-C-142
sad. -0.04
ruf. -0.53
dom. -0.24
bre. -0.21
HIS chainID: C,
resSeq: 87,
molecule: Hemoglobin subunit alpha-1/2
oxygen carrier
oligomeric count: 4
pocket vol.: 561.0 Å3
d(Fe-oop): 0.068 Å
HOH chainID: C, resSeq: 153,
molecule: water
3d1a-D-147
sad. +0.15
ruf. -0.08
dom. -0.29
bre. -0.19
HIS chainID: D,
resSeq: 92,
molecule: Hemoglobin subunit beta-A
oxygen carrier
oligomeric count: 4
pocket vol.: 538.0 Å3
d(Fe-oop): 0.015 Å
HOH chainID: D, resSeq: 154,
molecule: water