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PyDISH No: 01845

PDB: 1nej,
chainID: A, resSeq: 142
heme type: B

function: oxygen carrier
experiment: X-RAY DIFFRACTION
resolution: 2.1 Å

chainID: A,
resSeq: 87,
Coordination distance[Å]: 2.251
molecule: Hemoglobin alpha chain
Organism: Homo sapiens

chainID: A,
resSeq: 1143,
Coordination distance[Å]: 1.777
molecule: CARBON MONOXIDE

ID of heme	Distortion	Axial ligands on heme		Function & structure
1nej-B-147	`sad. +0.08 ruf. -0.22 dom. -0.34 bre. +0.11`	HIS	chainID: B, resSeq: 92, molecule: Hemoglobin beta chain	oxygen carrier oligomeric count: 4 pocket vol.: 528.0 Å³ d(Fe-oop): 0.049 Å
1nej-B-147	`sad. +0.08 ruf. -0.22 dom. -0.34 bre. +0.11`	CMO	chainID: B, resSeq: 2148, molecule: CARBON MONOXIDE
1nej-C-142	`sad. +0.32 ruf. +0.01 dom. -0.33 bre. +0.27`	HIS	chainID: C, resSeq: 87, molecule: Hemoglobin alpha chain	oxygen carrier oligomeric count: 4 pocket vol.: 511.0 Å³ d(Fe-oop): 0.054 Å
1nej-C-142	`sad. +0.32 ruf. +0.01 dom. -0.33 bre. +0.27`	CMO	chainID: C, resSeq: 3143, molecule: CARBON MONOXIDE
1nej-D-147	`sad. +0.03 ruf. +0.04 dom. -0.22 bre. +0.11`	HIS	chainID: D, resSeq: 92, molecule: Hemoglobin beta chain	oxygen carrier oligomeric count: 4 pocket vol.: 569.0 Å³ d(Fe-oop): 0.047 Å
1nej-D-147	`sad. +0.03 ruf. +0.04 dom. -0.22 bre. +0.11`	CMO	chainID: D, resSeq: 4148, molecule: CARBON MONOXIDE