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PyDISH No: 15662

PDB: 7r3u,
chainID: A, resSeq: 502
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.86 Å
origomeric count: 1

axial ligand #1: CYS

chainID: A,
resSeq: 377,
Coordination distance[Å]: 2.205
molecule: Steroid C26-monooxygenase
EC number: 1.14.15.29
Organism: Mycobacterium tuberculosis H37Rv

axial ligand #2: 2QC

chainID: A,
resSeq: 501,
Coordination distance[Å]: 2.48
molecule: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine

List of other hemes in pdb:7r3u

ID of heme Distortion Axial ligands on heme Function & structure
7r3u-B-502
sad. -0.20
ruf. -0.48
dom. -0.11
bre. -0.15
CYS chainID: B,
resSeq: 377,
molecule: Steroid C26-monooxygenase
oxidoreductase
oligomeric count: 1
pocket vol.: 375.0 Å3
d(Fe-oop): 0.069 Å
2QC chainID: B, resSeq: 501,
molecule: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine
7r3u-C-502
sad. -0.17
ruf. -0.27
dom. -0.06
bre. -0.20
CYS chainID: C,
resSeq: 377,
molecule: Steroid C26-monooxygenase
oxidoreductase
oligomeric count: 1
pocket vol.: 386.0 Å3
d(Fe-oop): 0.140 Å
2QC chainID: C, resSeq: 501,
molecule: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine