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PyDISH No: 06472

PDB: 3nfe,
chainID: C, resSeq: 600
heme type: B

distortion

Protein data

function: oxygen carrier
experiment: X-RAY DIFFRACTION
resolution: 2.01 Å

axial ligand #1: HIS

chainID: C,
resSeq: 59,
Coordination distance[Å]: 2.91
molecule: Hemoglobin subunit alpha-1
Organism: Trematomus newnesi

axial ligand #2: HIS

chainID: C,
resSeq: 88,
Coordination distance[Å]: 2.276
molecule: same as ligand #1

List of other hemes in pdb:3nfe

ID of heme Distortion Axial ligands on heme Function & structure
3nfe-A-200
sad. +0.17
ruf. -0.34
dom. -0.54
bre. -0.08
HIS chainID: A,
resSeq: 59,
molecule: Hemoglobin subunit alpha-1
oxygen carrier
oligomeric count: 4
pocket vol.: 494.0 Å3
d(Fe-oop): 0.035 Å
HIS chainID: A, resSeq: 88,
molecule: Hemoglobin subunit alpha-1
3nfe-B-400
sad. +0.28
ruf. +0.14
dom. -0.49
bre. -0.10
HIS chainID: B,
resSeq: 92,
molecule: Hemoglobin subunit beta-1/2
oxygen carrier
oligomeric count: 4
pocket vol.: 585.0 Å3
d(Fe-oop): 0.113 Å
Not assigned.
3nfe-D-800
sad. +0.03
ruf. -0.31
dom. -0.52
bre. -0.09
HIS chainID: D,
resSeq: 92,
molecule: Hemoglobin subunit beta-1/2
oxygen carrier
oligomeric count: 4
pocket vol.: 570.0 Å3
d(Fe-oop): 0.144 Å
Not assigned.