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PyDISH No: 04263

PDB: 2qjk,
chainID: M, resSeq: 501
heme type: B

distortion

Protein data

function: electron transporter
experiment: X-RAY DIFFRACTION
resolution: 3.1 Å

axial ligand #1: HIS

chainID: M,
resSeq: 111,
Coordination distance[Å]: 1.961
molecule: Cytochrome b
Organism: Rhodobacter sphaeroides

axial ligand #2: HIS

chainID: M,
resSeq: 212,
Coordination distance[Å]: 1.956
molecule: same as ligand #1

List of other hemes in pdb:2qjk

ID of heme Distortion Axial ligands on heme Function & structure
2qjk-A-501
sad. -0.43
ruf. -0.37
dom. +0.13
bre. +0.15
HIS chainID: A,
resSeq: 111,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 387.0 Å3
d(Fe-oop): 0.006 Å
HIS chainID: A, resSeq: 212,
molecule: Cytochrome b
2qjk-A-502
sad. +0.14
ruf. -0.31
dom. -0.02
bre. +0.23
HIS chainID: A,
resSeq: 97,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 412.0 Å3
d(Fe-oop): 0.075 Å
HIS chainID: A, resSeq: 198,
molecule: Cytochrome b
2qjk-B-301
sad. +0.01
ruf. -0.37
dom. -0.03
bre. +0.25
HIS chainID: B,
resSeq: 40,
molecule: Cytochrome c1
electron transporter
oligomeric count: 6
pocket vol.: 380.0 Å3
d(Fe-oop): 0.221 Å
MET chainID: B, resSeq: 185,
molecule: Cytochrome c1
2qjk-D-501
sad. -0.47
ruf. -0.17
dom. +0.27
bre. +0.18
HIS chainID: D,
resSeq: 111,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 392.0 Å3
d(Fe-oop): 0.017 Å
HIS chainID: D, resSeq: 212,
molecule: Cytochrome b
2qjk-D-502
sad. +0.03
ruf. -0.17
dom. -0.10
bre. +0.09
HIS chainID: D,
resSeq: 97,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 411.0 Å3
d(Fe-oop): 0.013 Å
HIS chainID: D, resSeq: 198,
molecule: Cytochrome b
2qjk-E-301
sad. +0.09
ruf. +0.01
dom. -0.05
bre. +0.10
HIS chainID: E,
resSeq: 40,
molecule: Cytochrome c1
electron transporter
oligomeric count: 6
pocket vol.: 415.0 Å3
d(Fe-oop): 0.202 Å
MET chainID: E, resSeq: 185,
molecule: Cytochrome c1
2qjk-G-501
sad. -0.28
ruf. -0.29
dom. +0.25
bre. +0.10
HIS chainID: G,
resSeq: 111,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 398.0 Å3
d(Fe-oop): 0.066 Å
HIS chainID: G, resSeq: 212,
molecule: Cytochrome b
2qjk-G-502
sad. +0.19
ruf. +0.02
dom. +0.12
bre. +0.20
HIS chainID: G,
resSeq: 97,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 421.0 Å3
d(Fe-oop): 0.035 Å
HIS chainID: G, resSeq: 198,
molecule: Cytochrome b
2qjk-H-301
sad. +0.02
ruf. -0.19
dom. -0.01
bre. +0.22
HIS chainID: H,
resSeq: 40,
molecule: Cytochrome c1
electron transporter
oligomeric count: 6
pocket vol.: 412.0 Å3
d(Fe-oop): 0.133 Å
MET chainID: H, resSeq: 185,
molecule: Cytochrome c1
2qjk-J-501
sad. -0.35
ruf. -0.12
dom. +0.23
bre. -0.01
HIS chainID: J,
resSeq: 111,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 410.0 Å3
d(Fe-oop): 0.072 Å
HIS chainID: J, resSeq: 212,
molecule: Cytochrome b
2qjk-J-502
sad. +0.13
ruf. -0.20
dom. +0.03
bre. +0.07
HIS chainID: J,
resSeq: 97,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 417.0 Å3
d(Fe-oop): 0.042 Å
HIS chainID: J, resSeq: 198,
molecule: Cytochrome b
2qjk-K-301
sad. +0.14
ruf. -0.26
dom. -0.07
bre. +0.13
HIS chainID: K,
resSeq: 40,
molecule: Cytochrome c1
electron transporter
oligomeric count: 6
pocket vol.: 423.0 Å3
d(Fe-oop): 0.171 Å
MET chainID: K, resSeq: 185,
molecule: Cytochrome c1
2qjk-M-502
sad. +0.12
ruf. -0.25
dom. -0.08
bre. +0.13
HIS chainID: M,
resSeq: 97,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 431.0 Å3
d(Fe-oop): 0.028 Å
HIS chainID: M, resSeq: 198,
molecule: Cytochrome b
2qjk-N-301
sad. -0.11
ruf. +0.04
dom. -0.05
bre. +0.07
HIS chainID: N,
resSeq: 40,
molecule: Cytochrome c1
electron transporter
oligomeric count: 6
pocket vol.: 402.0 Å3
d(Fe-oop): 0.104 Å
MET chainID: N, resSeq: 185,
molecule: Cytochrome c1
2qjk-P-501
sad. -0.44
ruf. -0.43
dom. +0.20
bre. +0.23
HIS chainID: P,
resSeq: 111,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 396.0 Å3
d(Fe-oop): 0.058 Å
HIS chainID: P, resSeq: 212,
molecule: Cytochrome b
2qjk-P-502
sad. -0.19
ruf. +0.05
dom. +0.05
bre. +0.16
HIS chainID: P,
resSeq: 97,
molecule: Cytochrome b
electron transporter
oligomeric count: 6
pocket vol.: 427.0 Å3
d(Fe-oop): 0.006 Å
HIS chainID: P, resSeq: 198,
molecule: Cytochrome b
2qjk-Q-301
sad. -0.05
ruf. -0.17
dom. -0.04
bre. +0.13
HIS chainID: Q,
resSeq: 40,
molecule: Cytochrome c1
electron transporter
oligomeric count: 6
pocket vol.: 402.0 Å3
d(Fe-oop): 0.130 Å
MET chainID: Q, resSeq: 185,
molecule: Cytochrome c1