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PyDISH No: 08305

PDB: 4ejj,
chainID: A, resSeq: 500
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.3 Å

axial ligand #1: CYS

chainID: A,
resSeq: 439,
Coordination distance[Å]: 2.363
molecule: Cytochrome P450 2A6
EC number: 1.14.14.1
Organism: Homo sapiens

axial ligand #2: NCT

chainID: A,
resSeq: 501,
Coordination distance[Å]: 2.34
molecule: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE

List of other hemes in pdb:4ejj

ID of heme	Distortion	Axial ligands on heme		Function & structure
4ejj-B-500	`sad. -0.05 ruf. -0.20 dom. +0.07 bre. -0.34`	CYS	chainID: B, resSeq: 439, molecule: Cytochrome P450 2A6	oxidoreductase oligomeric count: 1 pocket vol.: 429.0 Å³ d(Fe-oop): 0.039 Å
4ejj-B-500	`sad. -0.05 ruf. -0.20 dom. +0.07 bre. -0.34`	NCT	chainID: B, resSeq: 501, molecule: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE
4ejj-C-500	`sad. +0.11 ruf. -0.33 dom. +0.00 bre. -0.26`	CYS	chainID: C, resSeq: 439, molecule: Cytochrome P450 2A6	oxidoreductase oligomeric count: 1 pocket vol.: 439.0 Å³ d(Fe-oop): 0.010 Å
4ejj-C-500	`sad. +0.11 ruf. -0.33 dom. +0.00 bre. -0.26`	NCT	chainID: C, resSeq: 501, molecule: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE
4ejj-D-502	`sad. -0.05 ruf. -0.39 dom. -0.01 bre. -0.31`	CYS	chainID: D, resSeq: 439, molecule: Cytochrome P450 2A6	oxidoreductase oligomeric count: 1 pocket vol.: 433.0 Å³ d(Fe-oop): 0.023 Å
4ejj-D-502	`sad. -0.05 ruf. -0.39 dom. -0.01 bre. -0.31`	NCT	chainID: D, resSeq: 501, molecule: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE