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PyDISH No: 18360

PDB: 9av9,
chainID: D, resSeq: 202
heme type: B

distortion

Protein data

function: oxygen carrier
experiment: X-RAY DIFFRACTION
resolution: 1.94 Å

axial ligand #1: HIS

chainID: D,
resSeq: 92,
Coordination distance[Å]: 2.094
molecule: Hemoglobin subunit beta
Organism: Homo sapiens

axial ligand #2: HOH

chainID: D,
resSeq: 325,
Coordination distance[Å]: 2.2
molecule: water

List of other hemes in pdb:9av9

ID of heme Distortion Axial ligands on heme Function & structure
9av9-A-203
sad. +0.26
ruf. -0.21
dom. -0.26
bre. -0.17
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 528.0 Å3
d(Fe-oop): 0.088 Å
HOH chainID: A, resSeq: 316,
molecule: water
9av9-B-201
sad. +0.21
ruf. -0.19
dom. -0.31
bre. -0.17
HIS chainID: B,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 539.0 Å3
d(Fe-oop): 0.007 Å
HOH chainID: B, resSeq: 308,
molecule: water
9av9-C-203
sad. +0.18
ruf. -0.16
dom. -0.25
bre. -0.09
HIS chainID: C,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 540.0 Å3
d(Fe-oop): 0.071 Å
HOH chainID: C, resSeq: 311,
molecule: water