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PyDISH No: 03824

PDB: 2ij5,
chainID: D, resSeq: 462
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.6 Å
origomeric count: 1

axial ligand #1: CYS

chainID: D,
resSeq: 345,
Coordination distance[Å]: 2.329
molecule: Cytochrome P450 121
EC number: 1.14.-.-
Organism: Mycobacterium tuberculosis

axial ligand #2: HOH

chainID: D,
resSeq: 2971,
Coordination distance[Å]: 2.799
molecule: water

List of other hemes in pdb:2ij5

ID of heme Distortion Axial ligands on heme Function & structure
2ij5-A-462
 sad. -0.55
ruf. -0.64
dom. -0.05
bre. -0.07
 CYS chainID: A,
resSeq: 345,
molecule: Cytochrome P450 121		 oxidoreductase
oligomeric count: 1
pocket vol.: 448.0 Å3
d(Fe-oop): 0.222 Å
HOH chainID: A, resSeq: 2888,
molecule: water
2ij5-B-462
 sad. -0.59
ruf. -0.71
dom. -0.08
bre. -0.14
 CYS chainID: B,
resSeq: 345,
molecule: Cytochrome P450 121		 oxidoreductase
oligomeric count: 1
pocket vol.: 453.0 Å3
d(Fe-oop): 0.183 Å
HOH chainID: B, resSeq: 3010,
molecule: water
2ij5-C-462
 sad. -0.59
ruf. -0.66
dom. -0.07
bre. -0.15
 CYS chainID: C,
resSeq: 345,
molecule: Cytochrome P450 121		 oxidoreductase
oligomeric count: 1
pocket vol.: 458.0 Å3
d(Fe-oop): 0.224 Å
HOH chainID: C, resSeq: 2916,
molecule: water
2ij5-E-462
 sad. -0.55
ruf. -0.62
dom. -0.04
bre. -0.13
 CYS chainID: E,
resSeq: 345,
molecule: Cytochrome P450 121		 oxidoreductase
oligomeric count: 1
pocket vol.: 409.0 Å3
d(Fe-oop): 0.231 Å
HOH chainID: E, resSeq: 3017,
molecule: water
2ij5-F-462
 sad. -0.56
ruf. -0.59
dom. -0.05
bre. -0.15
 CYS chainID: F,
resSeq: 345,
molecule: Cytochrome P450 121		 oxidoreductase
oligomeric count: 1
pocket vol.: 449.0 Å3
d(Fe-oop): 0.235 Å
HOH chainID: F, resSeq: 3059,
molecule: water