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PyDISH No: 04618

PDB: 2wh8,
chainID: D, resSeq: 450
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.7 Å

axial ligand #1: CYS

chainID: D,
resSeq: 354,
Coordination distance[Å]: 2.329
molecule: PUTATIVE CYTOCHROME P450 130
EC number: 1.14.-.-
Organism: MYCOBACTERIUM TUBERCULOSIS

axial ligand #2: II2

chainID: D,
resSeq: 460,
Coordination distance[Å]: 2.135
molecule: 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE

List of other hemes in pdb:2wh8

ID of heme Distortion Axial ligands on heme Function & structure
2wh8-A-450
sad. -0.15
ruf. -0.06
dom. -0.04
bre. -0.29
CYS chainID: A,
resSeq: 354,
molecule: PUTATIVE CYTOCHROME P450 130
oxidoreductase
oligomeric count: 1
pocket vol.: 382.0 Å3
d(Fe-oop): 0.022 Å
II2 chainID: A, resSeq: 460,
molecule: 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE
2wh8-B-450
sad. -0.14
ruf. -0.02
dom. -0.05
bre. -0.20
CYS chainID: B,
resSeq: 354,
molecule: PUTATIVE CYTOCHROME P450 130
oxidoreductase
oligomeric count: 1
pocket vol.: 391.0 Å3
d(Fe-oop): 0.068 Å
II2 chainID: B, resSeq: 460,
molecule: 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE
2wh8-C-450
sad. -0.20
ruf. -0.04
dom. -0.05
bre. -0.26
CYS chainID: C,
resSeq: 354,
molecule: PUTATIVE CYTOCHROME P450 130
oxidoreductase
oligomeric count: 1
pocket vol.: 399.0 Å3
d(Fe-oop): 0.002 Å
II2 chainID: C, resSeq: 460,
molecule: 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE