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PyDISH No: 10653

PDB: 5djq,
chainID: K, resSeq: 502
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 3.2 Å

axial ligand #1: HIS

chainID: K,
resSeq: 60,
Coordination distance[Å]: 1.946
molecule: Cbb3-type cytochrome c oxidase subunit CcoN1
EC number: 1.9.3.1
Organism: Pseudomonas stutzeri

axial ligand #2: HIS

chainID: K,
resSeq: 347,
Coordination distance[Å]: 1.953
molecule: same as ligand #1

List of other hemes in pdb:5djq

ID of heme	Distortion	Axial ligands on heme		Function & structure
5djq-A-501	`sad. +1.35 ruf. +0.51 dom. +0.18 bre. -0.07`	HIS	chainID: A, resSeq: 345, molecule: Cbb3-type cytochrome c oxidase subunit CcoN1	oxidoreductase oligomeric count: 4 pocket vol.: 421.0 Å³ d(Fe-oop): 0.103 Å
5djq-A-501	`sad. +1.35 ruf. +0.51 dom. +0.18 bre. -0.07`	PEO	chainID: A, resSeq: 505, molecule: HYDROGEN PEROXIDE
5djq-A-502	`sad. +0.28 ruf. +0.18 dom. +0.19 bre. -0.20`	HIS	chainID: A, resSeq: 60, molecule: Cbb3-type cytochrome c oxidase subunit CcoN1	oxidoreductase oligomeric count: 4 pocket vol.: 354.0 Å³ d(Fe-oop): 0.058 Å
5djq-A-502	`sad. +0.28 ruf. +0.18 dom. +0.19 bre. -0.20`	HIS	chainID: A, resSeq: 347, molecule: Cbb3-type cytochrome c oxidase subunit CcoN1
5djq-B-301	`sad. +0.41 ruf. -0.11 dom. +0.18 bre. -0.47`	HIS	chainID: B, resSeq: 69, molecule: Cbb3-type cytochrome c oxidase subunit II	electron transporter oligomeric count: 4 pocket vol.: 334.0 Å³ d(Fe-oop): 0.049 Å
5djq-B-301	`sad. +0.41 ruf. -0.11 dom. +0.18 bre. -0.47`	MET	chainID: B, resSeq: 137, molecule: Cbb3-type cytochrome c oxidase subunit II
5djq-C-401	`sad. -0.35 ruf. -0.52 dom. +0.39 bre. -0.51`	MET	chainID: C, resSeq: 186, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1	electron transporter oligomeric count: 4 pocket vol.: 301.0 Å³ d(Fe-oop): 0.104 Å
5djq-C-401	`sad. -0.35 ruf. -0.52 dom. +0.39 bre. -0.51`	HIS	chainID: C, resSeq: 237, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1
5djq-C-402	`sad. -0.63 ruf. -0.68 dom. +0.48 bre. -0.36`	HIS	chainID: C, resSeq: 147, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1	electron transporter oligomeric count: 4 pocket vol.: 326.0 Å³ d(Fe-oop): 0.130 Å
5djq-C-402	`sad. -0.63 ruf. -0.68 dom. +0.48 bre. -0.36`	MET	chainID: C, resSeq: 279, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1
5djq-D-501	`sad. +1.29 ruf. +0.84 dom. +0.04 bre. -0.07`	HIS	chainID: D, resSeq: 345, molecule: Cbb3-type cytochrome c oxidase subunit CcoN1	oxidoreductase oligomeric count: 4 pocket vol.: 425.0 Å³ d(Fe-oop): 0.073 Å
5djq-D-501	`sad. +1.29 ruf. +0.84 dom. +0.04 bre. -0.07`	PEO	chainID: D, resSeq: 506, molecule: HYDROGEN PEROXIDE
5djq-D-502	`sad. +0.16 ruf. +0.05 dom. +0.13 bre. -0.26`	HIS	chainID: D, resSeq: 60, molecule: Cbb3-type cytochrome c oxidase subunit CcoN1	oxidoreductase oligomeric count: 4 pocket vol.: 352.0 Å³ d(Fe-oop): 0.082 Å
5djq-D-502	`sad. +0.16 ruf. +0.05 dom. +0.13 bre. -0.26`	HIS	chainID: D, resSeq: 347, molecule: Cbb3-type cytochrome c oxidase subunit CcoN1
5djq-E-301	`sad. +0.48 ruf. -0.15 dom. +0.23 bre. -0.56`	HIS	chainID: E, resSeq: 69, molecule: Cbb3-type cytochrome c oxidase subunit II	electron transporter oligomeric count: 4 pocket vol.: 321.0 Å³ d(Fe-oop): 0.059 Å
5djq-E-301	`sad. +0.48 ruf. -0.15 dom. +0.23 bre. -0.56`	MET	chainID: E, resSeq: 137, molecule: Cbb3-type cytochrome c oxidase subunit II
5djq-F-401	`sad. -0.43 ruf. -0.52 dom. +0.39 bre. -0.54`	MET	chainID: F, resSeq: 186, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1	electron transporter oligomeric count: 4 pocket vol.: 320.0 Å³ d(Fe-oop): 0.093 Å
5djq-F-401	`sad. -0.43 ruf. -0.52 dom. +0.39 bre. -0.54`	HIS	chainID: F, resSeq: 237, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1
5djq-F-402	`sad. -0.69 ruf. -0.69 dom. +0.49 bre. -0.46`	HIS	chainID: F, resSeq: 147, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1	electron transporter oligomeric count: 4 pocket vol.: 353.0 Å³ d(Fe-oop): 0.132 Å
5djq-F-402	`sad. -0.69 ruf. -0.69 dom. +0.49 bre. -0.46`	MET	chainID: F, resSeq: 279, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1
5djq-G-501	`sad. +1.26 ruf. +0.82 dom. +0.08 bre. -0.08`	HIS	chainID: G, resSeq: 345, molecule: Cbb3-type cytochrome c oxidase subunit CcoN1	oxidoreductase oligomeric count: 4 pocket vol.: 429.0 Å³ d(Fe-oop): 0.097 Å
5djq-G-501	`sad. +1.26 ruf. +0.82 dom. +0.08 bre. -0.08`	PEO	chainID: G, resSeq: 505, molecule: HYDROGEN PEROXIDE
5djq-G-502	`sad. +0.25 ruf. +0.20 dom. +0.17 bre. -0.24`	HIS	chainID: G, resSeq: 60, molecule: Cbb3-type cytochrome c oxidase subunit CcoN1	oxidoreductase oligomeric count: 4 pocket vol.: 344.0 Å³ d(Fe-oop): 0.026 Å
5djq-G-502	`sad. +0.25 ruf. +0.20 dom. +0.17 bre. -0.24`	HIS	chainID: G, resSeq: 347, molecule: Cbb3-type cytochrome c oxidase subunit CcoN1
5djq-H-301	`sad. +0.48 ruf. -0.07 dom. +0.15 bre. -0.52`	HIS	chainID: H, resSeq: 69, molecule: Cbb3-type cytochrome c oxidase subunit II	electron transporter oligomeric count: 4 pocket vol.: 338.0 Å³ d(Fe-oop): 0.035 Å
5djq-H-301	`sad. +0.48 ruf. -0.07 dom. +0.15 bre. -0.52`	MET	chainID: H, resSeq: 137, molecule: Cbb3-type cytochrome c oxidase subunit II
5djq-I-402	`sad. -0.41 ruf. -0.58 dom. +0.42 bre. -0.47`	MET	chainID: I, resSeq: 186, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1	electron transporter oligomeric count: 4 pocket vol.: 279.0 Å³ d(Fe-oop): 0.108 Å
5djq-I-402	`sad. -0.41 ruf. -0.58 dom. +0.42 bre. -0.47`	HIS	chainID: I, resSeq: 237, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1
5djq-I-403	`sad. -0.38 ruf. -0.56 dom. +0.43 bre. -0.47`	HIS	chainID: I, resSeq: 147, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1	electron transporter oligomeric count: 4 pocket vol.: 336.0 Å³ d(Fe-oop): 0.115 Å
5djq-I-403	`sad. -0.38 ruf. -0.56 dom. +0.43 bre. -0.47`	MET	chainID: I, resSeq: 279, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1
5djq-K-501	`sad. +1.29 ruf. +0.91 dom. -0.00 bre. -0.05`	HIS	chainID: K, resSeq: 345, molecule: Cbb3-type cytochrome c oxidase subunit CcoN1	oxidoreductase oligomeric count: 4 pocket vol.: 425.0 Å³ d(Fe-oop): 0.076 Å
5djq-K-501	`sad. +1.29 ruf. +0.91 dom. -0.00 bre. -0.05`	PEO	chainID: K, resSeq: 507, molecule: HYDROGEN PEROXIDE
5djq-L-301	`sad. +0.29 ruf. -0.14 dom. +0.18 bre. -0.55`	HIS	chainID: L, resSeq: 69, molecule: Cbb3-type cytochrome c oxidase subunit II	electron transporter oligomeric count: 4 pocket vol.: 337.0 Å³ d(Fe-oop): 0.043 Å
5djq-L-301	`sad. +0.29 ruf. -0.14 dom. +0.18 bre. -0.55`	MET	chainID: L, resSeq: 137, molecule: Cbb3-type cytochrome c oxidase subunit II
5djq-M-402	`sad. -0.34 ruf. -0.45 dom. +0.32 bre. -0.50`	MET	chainID: M, resSeq: 186, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1	electron transporter oligomeric count: 4 pocket vol.: 306.0 Å³ d(Fe-oop): 0.073 Å
5djq-M-402	`sad. -0.34 ruf. -0.45 dom. +0.32 bre. -0.50`	HIS	chainID: M, resSeq: 237, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1
5djq-M-403	`sad. -0.52 ruf. -0.54 dom. +0.39 bre. -0.44`	HIS	chainID: M, resSeq: 147, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1	electron transporter oligomeric count: 4 pocket vol.: 334.0 Å³ d(Fe-oop): 0.098 Å
5djq-M-403	`sad. -0.52 ruf. -0.54 dom. +0.39 bre. -0.44`	MET	chainID: M, resSeq: 279, molecule: Cbb3-type cytochrome c oxidase subunit CcoP1