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PyDISH No: 03832

PDB: 2ij7,
chainID: F, resSeq: 462
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.9 Å

axial ligand #1: CYS

chainID: F,
resSeq: 345,
Coordination distance[Å]: 2.316
molecule: Cytochrome P450 121
EC number: 1.14.-.-
Organism: Mycobacterium tuberculosis

axial ligand #2: TPF

chainID: F,
resSeq: 2474,
Coordination distance[Å]: 2.294
molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

List of other hemes in pdb:2ij7

ID of heme Distortion Axial ligands on heme Function & structure
2ij7-A-462
sad. -0.44
ruf. -0.75
dom. +0.02
bre. -0.07
CYS chainID: A,
resSeq: 345,
molecule: Cytochrome P450 121
oxidoreductase
oligomeric count: 1
pocket vol.: 455.0 Å3
d(Fe-oop): 0.057 Å
TPF chainID: A, resSeq: 2472,
molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
2ij7-B-462
sad. -0.57
ruf. -0.62
dom. +0.06
bre. -0.21
CYS chainID: B,
resSeq: 345,
molecule: Cytochrome P450 121
oxidoreductase
oligomeric count: 1
pocket vol.: 461.0 Å3
d(Fe-oop): 0.047 Å
HOH chainID: B, resSeq: 2834,
molecule: water
2ij7-C-462
sad. -0.45
ruf. -0.57
dom. +0.03
bre. -0.10
CYS chainID: C,
resSeq: 345,
molecule: Cytochrome P450 121
oxidoreductase
oligomeric count: 1
pocket vol.: 457.0 Å3
d(Fe-oop): 0.075 Å
HOH chainID: C, resSeq: 2494,
molecule: water
2ij7-D-462
sad. -0.37
ruf. -0.68
dom. +0.00
bre. -0.15
TPF chainID: D,
resSeq: 2473,
molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
oxidoreductase
oligomeric count: 1
pocket vol.: 450.0 Å3
d(Fe-oop): 0.025 Å
HOH chainID: D, resSeq: 2748,
molecule: water
2ij7-E-462
sad. -0.43
ruf. -0.67
dom. -0.08
bre. -0.14
CYS chainID: E,
resSeq: 345,
molecule: Cytochrome P450 121
oxidoreductase
oligomeric count: 1
pocket vol.: 423.0 Å3
d(Fe-oop): 0.217 Å
HOH chainID: E, resSeq: 849,
molecule: water