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PyDISH No: 07405

PDB: 3ubr,
chainID: B, resSeq: 475
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.59 Å

axial ligand #1: HIS

chainID: B,
resSeq: 268,
Coordination distance[Å]: 2.07
molecule: Cytochrome c-552
EC number: 1.7.2.2
Organism: Shewanella oneidensis

axial ligand #2: HIS

chainID: B,
resSeq: 311,
Coordination distance[Å]: 1.961
molecule: same as ligand #1

List of other hemes in pdb:3ubr

ID of heme	Distortion	Axial ligands on heme		Function & structure
3ubr-A-471	`sad. +0.56 ruf. -0.73 dom. +0.10 bre. +0.01`	LYS	chainID: A, resSeq: 123, molecule: Cytochrome c-552	oxidoreductase oligomeric count: 2 pocket vol.: 442.0 Å³ d(Fe-oop): 0.013 Å
3ubr-A-471	`sad. +0.56 ruf. -0.73 dom. +0.10 bre. +0.01`	HOH	chainID: A, resSeq: 488, molecule: water
3ubr-A-472	`sad. +0.23 ruf. -0.63 dom. -0.08 bre. -0.15`	HIS	chainID: A, resSeq: 161, molecule: Cytochrome c-552	oxidoreductase oligomeric count: 2 pocket vol.: 494.0 Å³ d(Fe-oop): 0.017 Å
3ubr-A-472	`sad. +0.23 ruf. -0.63 dom. -0.08 bre. -0.15`	HIS	chainID: A, resSeq: 294, molecule: Cytochrome c-552
3ubr-A-473	`sad. -0.49 ruf. -0.74 dom. +0.19 bre. -0.12`	HIS	chainID: A, resSeq: 91, molecule: Cytochrome c-552	oxidoreductase oligomeric count: 2 pocket vol.: 438.0 Å³ d(Fe-oop): 0.031 Å
3ubr-A-473	`sad. -0.49 ruf. -0.74 dom. +0.19 bre. -0.12`	HIS	chainID: A, resSeq: 203, molecule: Cytochrome c-552
3ubr-A-474	`sad. +0.05 ruf. -1.18 dom. +0.45 bre. +0.10`	HIS	chainID: A, resSeq: 279, molecule: Cytochrome c-552	oxidoreductase oligomeric count: 2 pocket vol.: 496.0 Å³ d(Fe-oop): 0.006 Å
3ubr-A-474	`sad. +0.05 ruf. -1.18 dom. +0.45 bre. +0.10`	HIS	chainID: A, resSeq: 386, molecule: Cytochrome c-552
3ubr-A-475	`sad. +0.05 ruf. -0.39 dom. +0.16 bre. -0.07`	HIS	chainID: A, resSeq: 268, molecule: Cytochrome c-552	oxidoreductase oligomeric count: 2 pocket vol.: 459.0 Å³ d(Fe-oop): 0.003 Å
3ubr-A-475	`sad. +0.05 ruf. -0.39 dom. +0.16 bre. -0.07`	HIS	chainID: A, resSeq: 311, molecule: Cytochrome c-552
3ubr-B-471	`sad. +0.52 ruf. -0.47 dom. +0.24 bre. -0.02`	LYS	chainID: B, resSeq: 123, molecule: Cytochrome c-552	oxidoreductase oligomeric count: 2 pocket vol.: 442.0 Å³ d(Fe-oop): 0.009 Å
3ubr-B-471	`sad. +0.52 ruf. -0.47 dom. +0.24 bre. -0.02`	HOH	chainID: B, resSeq: 484, molecule: water
3ubr-B-472	`sad. +0.39 ruf. -0.58 dom. +0.08 bre. -0.12`	HIS	chainID: B, resSeq: 161, molecule: Cytochrome c-552	oxidoreductase oligomeric count: 2 pocket vol.: 459.0 Å³ d(Fe-oop): 0.009 Å
3ubr-B-472	`sad. +0.39 ruf. -0.58 dom. +0.08 bre. -0.12`	HIS	chainID: B, resSeq: 294, molecule: Cytochrome c-552
3ubr-B-473	`sad. -0.18 ruf. -0.69 dom. +0.30 bre. -0.08`	HIS	chainID: B, resSeq: 91, molecule: Cytochrome c-552	oxidoreductase oligomeric count: 2 pocket vol.: 439.0 Å³ d(Fe-oop): 0.015 Å
3ubr-B-473	`sad. -0.18 ruf. -0.69 dom. +0.30 bre. -0.08`	HIS	chainID: B, resSeq: 203, molecule: Cytochrome c-552
3ubr-B-474	`sad. -0.02 ruf. -1.08 dom. +0.34 bre. +0.07`	HIS	chainID: B, resSeq: 279, molecule: Cytochrome c-552	oxidoreductase oligomeric count: 2 pocket vol.: 505.0 Å³ d(Fe-oop): 0.013 Å
3ubr-B-474	`sad. -0.02 ruf. -1.08 dom. +0.34 bre. +0.07`	HIS	chainID: B, resSeq: 386, molecule: Cytochrome c-552