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PyDISH No: 09482

PDB: 4q4u,
chainID: B, resSeq: 606
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.62 Å

axial ligand #1: HIS

chainID: B,
resSeq: 39,
Coordination distance[Å]: 1.937
molecule: Eight-heme nitrite reductase
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: B,
resSeq: 234,
Coordination distance[Å]: 1.93
molecule: same as ligand #1

List of other hemes in pdb:4q4u

ID of heme	Distortion	Axial ligands on heme		Function & structure
4q4u-A-601	`sad. +0.54 ruf. -0.65 dom. +0.04 bre. -0.29`	LYS	chainID: A, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 419.0 Å³ d(Fe-oop): 0.005 Å
4q4u-A-601	`sad. +0.54 ruf. -0.65 dom. +0.04 bre. -0.29`	SO3	chainID: A, resSeq: 609, molecule: SULFITE ION
4q4u-A-602	`sad. +1.03 ruf. -0.47 dom. -0.15 bre. -0.24`	HIS	chainID: A, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 492.0 Å³ d(Fe-oop): 0.008 Å
4q4u-A-602	`sad. +1.03 ruf. -0.47 dom. -0.15 bre. -0.24`	HIS	chainID: A, resSeq: 398, molecule: Eight-heme nitrite reductase
4q4u-A-603	`sad. -0.24 ruf. -0.90 dom. +0.11 bre. -0.26`	HIS	chainID: A, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 421.0 Å³ d(Fe-oop): 0.007 Å
4q4u-A-603	`sad. -0.24 ruf. -0.90 dom. +0.11 bre. -0.26`	HIS	chainID: A, resSeq: 300, molecule: Eight-heme nitrite reductase
4q4u-A-604	`sad. +0.68 ruf. -0.86 dom. -0.19 bre. -0.23`	HIS	chainID: A, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 435.0 Å³ d(Fe-oop): 0.018 Å
4q4u-A-604	`sad. +0.68 ruf. -0.86 dom. -0.19 bre. -0.23`	HIS	chainID: A, resSeq: 491, molecule: Eight-heme nitrite reductase
4q4u-A-605	`sad. -0.25 ruf. -1.25 dom. +0.05 bre. -0.31`	HIS	chainID: A, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 537.0 Å³ d(Fe-oop): 0.006 Å
4q4u-A-605	`sad. -0.25 ruf. -1.25 dom. +0.05 bre. -0.31`	HIS	chainID: A, resSeq: 415, molecule: Eight-heme nitrite reductase
4q4u-A-606	`sad. -0.12 ruf. -0.51 dom. -0.10 bre. -0.37`	HIS	chainID: A, resSeq: 39, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 357.0 Å³ d(Fe-oop): 0.011 Å
4q4u-A-606	`sad. -0.12 ruf. -0.51 dom. -0.10 bre. -0.37`	HIS	chainID: A, resSeq: 234, molecule: Eight-heme nitrite reductase
4q4u-A-607	`sad. +0.32 ruf. -0.74 dom. -0.08 bre. -0.30`	HIS	chainID: A, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 501.0 Å³ d(Fe-oop): 0.012 Å
4q4u-A-607	`sad. +0.32 ruf. -0.74 dom. -0.08 bre. -0.30`	HIS	chainID: A, resSeq: 70, molecule: Eight-heme nitrite reductase
4q4u-A-608	`sad. +0.06 ruf. -0.56 dom. -0.15 bre. -0.39`	HIS	chainID: A, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 430.0 Å³ d(Fe-oop): 0.015 Å
4q4u-A-608	`sad. +0.06 ruf. -0.56 dom. -0.15 bre. -0.39`	HIS	chainID: A, resSeq: 44, molecule: Eight-heme nitrite reductase
4q4u-B-601	`sad. +0.52 ruf. -0.60 dom. +0.01 bre. -0.31`	LYS	chainID: B, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 406.0 Å³ d(Fe-oop): 0.005 Å
4q4u-B-601	`sad. +0.52 ruf. -0.60 dom. +0.01 bre. -0.31`	SO3	chainID: B, resSeq: 609, molecule: SULFITE ION
4q4u-B-602	`sad. +1.10 ruf. -0.46 dom. -0.11 bre. -0.22`	HIS	chainID: B, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 486.0 Å³ d(Fe-oop): 0.022 Å
4q4u-B-602	`sad. +1.10 ruf. -0.46 dom. -0.11 bre. -0.22`	HIS	chainID: B, resSeq: 398, molecule: Eight-heme nitrite reductase
4q4u-B-603	`sad. -0.27 ruf. -0.88 dom. +0.12 bre. -0.21`	HIS	chainID: B, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 405.0 Å³ d(Fe-oop): 0.012 Å
4q4u-B-603	`sad. -0.27 ruf. -0.88 dom. +0.12 bre. -0.21`	HIS	chainID: B, resSeq: 300, molecule: Eight-heme nitrite reductase
4q4u-B-604	`sad. +0.71 ruf. -0.86 dom. -0.19 bre. -0.22`	HIS	chainID: B, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 425.0 Å³ d(Fe-oop): 0.017 Å
4q4u-B-604	`sad. +0.71 ruf. -0.86 dom. -0.19 bre. -0.22`	HIS	chainID: B, resSeq: 491, molecule: Eight-heme nitrite reductase
4q4u-B-605	`sad. -0.26 ruf. -1.27 dom. +0.02 bre. -0.25`	HIS	chainID: B, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 521.0 Å³ d(Fe-oop): 0.002 Å
4q4u-B-605	`sad. -0.26 ruf. -1.27 dom. +0.02 bre. -0.25`	HIS	chainID: B, resSeq: 415, molecule: Eight-heme nitrite reductase
4q4u-B-607	`sad. +0.33 ruf. -0.71 dom. -0.10 bre. -0.31`	HIS	chainID: B, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 500.0 Å³ d(Fe-oop): 0.008 Å
4q4u-B-607	`sad. +0.33 ruf. -0.71 dom. -0.10 bre. -0.31`	HIS	chainID: B, resSeq: 70, molecule: Eight-heme nitrite reductase
4q4u-B-608	`sad. -0.05 ruf. -0.63 dom. -0.15 bre. -0.41`	HIS	chainID: B, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 427.0 Å³ d(Fe-oop): 0.010 Å
4q4u-B-608	`sad. -0.05 ruf. -0.63 dom. -0.15 bre. -0.41`	HIS	chainID: B, resSeq: 44, molecule: Eight-heme nitrite reductase