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PyDISH No: 08296

PDB: 4ejh,
chainID: A, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.35 Å

axial ligand #1: CYS

chainID: A,
resSeq: 439,
Coordination distance[Å]: 2.338
molecule: Cytochrome P450 2A13
EC number: 1.14.14.1
Organism: Homo sapiens

axial ligand #2: 0QA

chainID: A,
resSeq: 502,
Coordination distance[Å]: 2.544
molecule: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one

List of other hemes in pdb:4ejh

ID of heme	Distortion	Axial ligands on heme		Function & structure
4ejh-B-501	`sad. -0.27 ruf. -0.04 dom. +0.09 bre. +0.05`	CYS	chainID: B, resSeq: 439, molecule: Cytochrome P450 2A13	oxidoreductase oligomeric count: 1 pocket vol.: 445.0 Å³ d(Fe-oop): 0.034 Å
4ejh-B-501	`sad. -0.27 ruf. -0.04 dom. +0.09 bre. +0.05`	0QA	chainID: B, resSeq: 502, molecule: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
4ejh-C-501	`sad. -0.31 ruf. -0.15 dom. +0.01 bre. -0.16`	CYS	chainID: C, resSeq: 439, molecule: Cytochrome P450 2A13	oxidoreductase oligomeric count: 1 pocket vol.: 451.0 Å³ d(Fe-oop): 0.035 Å
4ejh-C-501	`sad. -0.31 ruf. -0.15 dom. +0.01 bre. -0.16`	0QA	chainID: C, resSeq: 502, molecule: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
4ejh-D-501	`sad. -0.31 ruf. -0.13 dom. -0.07 bre. -0.15`	CYS	chainID: D, resSeq: 439, molecule: Cytochrome P450 2A13	oxidoreductase oligomeric count: 1 pocket vol.: 456.0 Å³ d(Fe-oop): 0.044 Å
4ejh-D-501	`sad. -0.31 ruf. -0.13 dom. -0.07 bre. -0.15`	0QA	chainID: D, resSeq: 502, molecule: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
4ejh-E-501	`sad. -0.27 ruf. +0.04 dom. +0.03 bre. -0.13`	CYS	chainID: E, resSeq: 439, molecule: Cytochrome P450 2A13	oxidoreductase oligomeric count: 1 pocket vol.: 432.0 Å³ d(Fe-oop): 0.002 Å
4ejh-E-501	`sad. -0.27 ruf. +0.04 dom. +0.03 bre. -0.13`	0QA	chainID: E, resSeq: 502, molecule: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
4ejh-F-501	`sad. -0.43 ruf. +0.01 dom. -0.08 bre. -0.19`	CYS	chainID: F, resSeq: 439, molecule: Cytochrome P450 2A13	oxidoreductase oligomeric count: 1 pocket vol.: 448.0 Å³ d(Fe-oop): 0.028 Å
4ejh-F-501	`sad. -0.43 ruf. +0.01 dom. -0.08 bre. -0.19`	0QA	chainID: F, resSeq: 502, molecule: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
4ejh-G-501	`sad. -0.36 ruf. -0.15 dom. -0.07 bre. -0.24`	CYS	chainID: G, resSeq: 439, molecule: Cytochrome P450 2A13	oxidoreductase oligomeric count: 1 pocket vol.: 387.0 Å³ d(Fe-oop): 0.031 Å
4ejh-G-501	`sad. -0.36 ruf. -0.15 dom. -0.07 bre. -0.24`	Not assigned.
4ejh-H-501	`sad. -0.38 ruf. +0.49 dom. +0.08 bre. -0.03`	CYS	chainID: H, resSeq: 439, molecule: Cytochrome P450 2A13	oxidoreductase oligomeric count: 1 pocket vol.: 417.0 Å³ d(Fe-oop): 0.007 Å
4ejh-H-501	`sad. -0.38 ruf. +0.49 dom. +0.08 bre. -0.03`	Not assigned.