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PyDISH No: 09444

PDB: 4q17,
chainID: A, resSeq: 608
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.75 Å

axial ligand #1: HIS

chainID: A,
resSeq: 18,
Coordination distance[Å]: 1.882
molecule: Eight-heme nitrite reductase
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: A,
resSeq: 44,
Coordination distance[Å]: 1.91
molecule: same as ligand #1

List of other hemes in pdb:4q17

ID of heme	Distortion	Axial ligands on heme		Function & structure
4q17-A-601	`sad. +0.51 ruf. -0.63 dom. +0.18 bre. -0.34`	LYS	chainID: A, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 409.0 Å³ d(Fe-oop): 0.027 Å
4q17-A-601	`sad. +0.51 ruf. -0.63 dom. +0.18 bre. -0.34`	HOH	chainID: A, resSeq: 701, molecule: water
4q17-A-602	`sad. +1.07 ruf. -0.50 dom. -0.14 bre. -0.19`	HIS	chainID: A, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 459.0 Å³ d(Fe-oop): 0.007 Å
4q17-A-602	`sad. +1.07 ruf. -0.50 dom. -0.14 bre. -0.19`	HIS	chainID: A, resSeq: 398, molecule: Eight-heme nitrite reductase
4q17-A-603	`sad. -0.20 ruf. -0.91 dom. +0.14 bre. -0.25`	HIS	chainID: A, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 406.0 Å³ d(Fe-oop): 0.008 Å
4q17-A-603	`sad. -0.20 ruf. -0.91 dom. +0.14 bre. -0.25`	HIS	chainID: A, resSeq: 300, molecule: Eight-heme nitrite reductase
4q17-A-604	`sad. +0.70 ruf. -0.91 dom. -0.22 bre. -0.25`	HIS	chainID: A, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 412.0 Å³ d(Fe-oop): 0.010 Å
4q17-A-604	`sad. +0.70 ruf. -0.91 dom. -0.22 bre. -0.25`	HIS	chainID: A, resSeq: 491, molecule: Eight-heme nitrite reductase
4q17-A-605	`sad. -0.34 ruf. -1.14 dom. +0.04 bre. -0.52`	HIS	chainID: A, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 473.0 Å³ d(Fe-oop): 0.004 Å
4q17-A-605	`sad. -0.34 ruf. -1.14 dom. +0.04 bre. -0.52`	HIS	chainID: A, resSeq: 415, molecule: Eight-heme nitrite reductase
4q17-A-606	`sad. -0.12 ruf. -0.58 dom. -0.11 bre. -0.33`	HIS	chainID: A, resSeq: 39, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 352.0 Å³ d(Fe-oop): 0.014 Å
4q17-A-606	`sad. -0.12 ruf. -0.58 dom. -0.11 bre. -0.33`	HIS	chainID: A, resSeq: 234, molecule: Eight-heme nitrite reductase
4q17-A-607	`sad. +0.33 ruf. -0.74 dom. -0.10 bre. -0.28`	HIS	chainID: A, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 498.0 Å³ d(Fe-oop): 0.014 Å
4q17-A-607	`sad. +0.33 ruf. -0.74 dom. -0.10 bre. -0.28`	HIS	chainID: A, resSeq: 70, molecule: Eight-heme nitrite reductase
4q17-B-601	`sad. +0.50 ruf. -0.63 dom. +0.16 bre. -0.30`	LYS	chainID: B, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 381.0 Å³ d(Fe-oop): 0.024 Å
4q17-B-601	`sad. +0.50 ruf. -0.63 dom. +0.16 bre. -0.30`	HOH	chainID: B, resSeq: 701, molecule: water
4q17-B-602	`sad. +1.04 ruf. -0.45 dom. -0.12 bre. -0.15`	HIS	chainID: B, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 465.0 Å³ d(Fe-oop): 0.009 Å
4q17-B-602	`sad. +1.04 ruf. -0.45 dom. -0.12 bre. -0.15`	HIS	chainID: B, resSeq: 398, molecule: Eight-heme nitrite reductase
4q17-B-603	`sad. -0.20 ruf. -0.91 dom. +0.13 bre. -0.19`	HIS	chainID: B, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 403.0 Å³ d(Fe-oop): 0.012 Å
4q17-B-603	`sad. -0.20 ruf. -0.91 dom. +0.13 bre. -0.19`	HIS	chainID: B, resSeq: 300, molecule: Eight-heme nitrite reductase
4q17-B-604	`sad. +0.69 ruf. -0.91 dom. -0.18 bre. -0.19`	HIS	chainID: B, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 433.0 Å³ d(Fe-oop): 0.013 Å
4q17-B-604	`sad. +0.69 ruf. -0.91 dom. -0.18 bre. -0.19`	HIS	chainID: B, resSeq: 491, molecule: Eight-heme nitrite reductase
4q17-B-605	`sad. -0.41 ruf. -1.15 dom. +0.01 bre. -0.48`	HIS	chainID: B, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 488.0 Å³ d(Fe-oop): 0.002 Å
4q17-B-605	`sad. -0.41 ruf. -1.15 dom. +0.01 bre. -0.48`	HIS	chainID: B, resSeq: 415, molecule: Eight-heme nitrite reductase
4q17-B-606	`sad. -0.08 ruf. -0.59 dom. -0.13 bre. -0.32`	HIS	chainID: B, resSeq: 39, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 348.0 Å³ d(Fe-oop): 0.010 Å
4q17-B-606	`sad. -0.08 ruf. -0.59 dom. -0.13 bre. -0.32`	HIS	chainID: B, resSeq: 234, molecule: Eight-heme nitrite reductase
4q17-B-607	`sad. +0.32 ruf. -0.68 dom. -0.12 bre. -0.26`	HIS	chainID: B, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 521.0 Å³ d(Fe-oop): 0.010 Å
4q17-B-607	`sad. +0.32 ruf. -0.68 dom. -0.12 bre. -0.26`	HIS	chainID: B, resSeq: 70, molecule: Eight-heme nitrite reductase
4q17-B-608	`sad. -0.09 ruf. -0.46 dom. -0.16 bre. -0.40`	HIS	chainID: B, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 411.0 Å³ d(Fe-oop): 0.009 Å
4q17-B-608	`sad. -0.09 ruf. -0.46 dom. -0.16 bre. -0.40`	HIS	chainID: B, resSeq: 44, molecule: Eight-heme nitrite reductase