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PyDISH No: 04420

PDB: 2rf7,
chainID: D, resSeq: 1
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.04 Å

axial ligand #1: LYS

chainID: D,
resSeq: 126,
Coordination distance[Å]: 1.991
molecule: Cytochrome c-552
EC number: 1.7.2.2
Organism: Escherichia coli K12

axial ligand #2: HOH

chainID: D,
resSeq: 760,
Coordination distance[Å]: 2.774
molecule: water

List of other hemes in pdb:2rf7

ID of heme Distortion Axial ligands on heme Function & structure
2rf7-A-1
sad. +0.63
ruf. -0.59
dom. +0.28
bre. -0.30
LYS chainID: A,
resSeq: 126,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 467.0 Å3
d(Fe-oop): 0.103 Å
HOH chainID: A, resSeq: 880,
molecule: water
2rf7-A-2
sad. +0.57
ruf. -0.54
dom. -0.06
bre. -0.40
HIS chainID: A,
resSeq: 164,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 368.0 Å3
d(Fe-oop): 0.100 Å
HIS chainID: A, resSeq: 301,
molecule: Cytochrome c-552
2rf7-A-3
sad. -0.14
ruf. -0.70
dom. +0.04
bre. -0.28
HIS chainID: A,
resSeq: 94,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 436.0 Å3
d(Fe-oop): 0.018 Å
HIS chainID: A, resSeq: 213,
molecule: Cytochrome c-552
2rf7-A-4
sad. -0.12
ruf. -0.98
dom. +0.13
bre. -0.19
HIS chainID: A,
resSeq: 286,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 475.0 Å3
d(Fe-oop): 0.088 Å
HIS chainID: A, resSeq: 393,
molecule: Cytochrome c-552
2rf7-A-5
sad. +0.21
ruf. -0.56
dom. +0.21
bre. -0.30
HIS chainID: A,
resSeq: 275,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 476.0 Å3
d(Fe-oop): 0.055 Å
HIS chainID: A, resSeq: 318,
molecule: Cytochrome c-552
2rf7-B-1
sad. +0.61
ruf. -0.51
dom. +0.21
bre. -0.32
LYS chainID: B,
resSeq: 126,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 471.0 Å3
d(Fe-oop): 0.072 Å
HOH chainID: B, resSeq: 924,
molecule: water
2rf7-B-2
sad. +0.48
ruf. -0.61
dom. -0.11
bre. -0.40
HIS chainID: B,
resSeq: 164,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 383.0 Å3
d(Fe-oop): 0.151 Å
HIS chainID: B, resSeq: 301,
molecule: Cytochrome c-552
2rf7-B-3
sad. -0.25
ruf. -0.67
dom. +0.14
bre. -0.20
HIS chainID: B,
resSeq: 94,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 431.0 Å3
d(Fe-oop): 0.064 Å
HIS chainID: B, resSeq: 213,
molecule: Cytochrome c-552
2rf7-B-4
sad. -0.28
ruf. -1.04
dom. +0.13
bre. -0.16
HIS chainID: B,
resSeq: 286,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 469.0 Å3
d(Fe-oop): 0.046 Å
HIS chainID: B, resSeq: 393,
molecule: Cytochrome c-552
2rf7-B-5
sad. +0.18
ruf. -0.46
dom. +0.11
bre. -0.15
HIS chainID: B,
resSeq: 275,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 491.0 Å3
d(Fe-oop): 0.018 Å
HIS chainID: B, resSeq: 318,
molecule: Cytochrome c-552
2rf7-C-1
sad. +0.64
ruf. -0.48
dom. +0.13
bre. -0.36
LYS chainID: C,
resSeq: 126,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 459.0 Å3
d(Fe-oop): 0.141 Å
HOH chainID: C, resSeq: 863,
molecule: water
2rf7-C-2
sad. +0.48
ruf. -0.65
dom. -0.11
bre. -0.35
HIS chainID: C,
resSeq: 164,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 362.0 Å3
d(Fe-oop): 0.093 Å
HIS chainID: C, resSeq: 301,
molecule: Cytochrome c-552
2rf7-C-3
sad. -0.15
ruf. -0.69
dom. +0.18
bre. -0.19
HIS chainID: C,
resSeq: 94,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 433.0 Å3
d(Fe-oop): 0.038 Å
HIS chainID: C, resSeq: 213,
molecule: Cytochrome c-552
2rf7-C-4
sad. -0.20
ruf. -1.04
dom. +0.10
bre. -0.09
HIS chainID: C,
resSeq: 286,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 464.0 Å3
d(Fe-oop): 0.050 Å
HIS chainID: C, resSeq: 393,
molecule: Cytochrome c-552
2rf7-C-5
sad. +0.32
ruf. -0.36
dom. +0.14
bre. -0.17
HIS chainID: C,
resSeq: 275,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 497.0 Å3
d(Fe-oop): 0.091 Å
HIS chainID: C, resSeq: 318,
molecule: Cytochrome c-552
2rf7-D-2
sad. +0.52
ruf. -0.62
dom. -0.23
bre. -0.43
HIS chainID: D,
resSeq: 164,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 366.0 Å3
d(Fe-oop): 0.207 Å
HIS chainID: D, resSeq: 301,
molecule: Cytochrome c-552
2rf7-D-3
sad. -0.19
ruf. -0.62
dom. +0.09
bre. -0.36
HIS chainID: D,
resSeq: 94,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 452.0 Å3
d(Fe-oop): 0.074 Å
HIS chainID: D, resSeq: 213,
molecule: Cytochrome c-552
2rf7-D-4
sad. -0.11
ruf. -1.08
dom. +0.09
bre. -0.15
HIS chainID: D,
resSeq: 286,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 473.0 Å3
d(Fe-oop): 0.118 Å
HIS chainID: D, resSeq: 393,
molecule: Cytochrome c-552
2rf7-D-5
sad. +0.22
ruf. -0.39
dom. +0.09
bre. -0.26
HIS chainID: D,
resSeq: 275,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 493.0 Å3
d(Fe-oop): 0.098 Å
HIS chainID: D, resSeq: 318,
molecule: Cytochrome c-552