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PyDISH No: 07031

PDB: 3rkh,
chainID: A, resSeq: 1007
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.83 Å

axial ligand #1: HIS

chainID: A,
resSeq: 383,
Coordination distance[Å]: 1.938
molecule: Eight-heme nitrite reductase
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: A,
resSeq: 491,
Coordination distance[Å]: 1.918
molecule: same as ligand #1

List of other hemes in pdb:3rkh

ID of heme	Distortion	Axial ligands on heme		Function & structure
3rkh-A-1004	`sad. +0.56 ruf. -0.50 dom. +0.12 bre. -0.06`	LYS	chainID: A, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 374.0 Å³ d(Fe-oop): 0.023 Å
3rkh-A-1004	`sad. +0.56 ruf. -0.50 dom. +0.12 bre. -0.06`	NO2	chainID: A, resSeq: 1, molecule: NITRITE ION
3rkh-A-1005	`sad. +1.07 ruf. -0.37 dom. -0.00 bre. +0.14`	HIS	chainID: A, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 456.0 Å³ d(Fe-oop): 0.039 Å
3rkh-A-1005	`sad. +1.07 ruf. -0.37 dom. -0.00 bre. +0.14`	HIS	chainID: A, resSeq: 398, molecule: Eight-heme nitrite reductase
3rkh-A-1006	`sad. -0.25 ruf. -0.78 dom. +0.25 bre. -0.04`	HIS	chainID: A, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 391.0 Å³ d(Fe-oop): 0.030 Å
3rkh-A-1006	`sad. -0.25 ruf. -0.78 dom. +0.25 bre. -0.04`	HIS	chainID: A, resSeq: 300, molecule: Eight-heme nitrite reductase
3rkh-A-1008	`sad. -0.35 ruf. -0.99 dom. +0.24 bre. +0.00`	HIS	chainID: A, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 513.0 Å³ d(Fe-oop): 0.053 Å
3rkh-A-1008	`sad. -0.35 ruf. -0.99 dom. +0.24 bre. +0.00`	HIS	chainID: A, resSeq: 415, molecule: Eight-heme nitrite reductase
3rkh-A-1002	`sad. -0.14 ruf. -0.44 dom. +0.03 bre. -0.05`	HIS	chainID: A, resSeq: 39, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 337.0 Å³ d(Fe-oop): 0.037 Å
3rkh-A-1002	`sad. -0.14 ruf. -0.44 dom. +0.03 bre. -0.05`	HIS	chainID: A, resSeq: 234, molecule: Eight-heme nitrite reductase
3rkh-A-1003	`sad. +0.38 ruf. -0.49 dom. +0.00 bre. +0.07`	HIS	chainID: A, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 487.0 Å³ d(Fe-oop): 0.033 Å
3rkh-A-1003	`sad. +0.38 ruf. -0.49 dom. +0.00 bre. +0.07`	HIS	chainID: A, resSeq: 70, molecule: Eight-heme nitrite reductase
3rkh-A-1001	`sad. +0.02 ruf. -0.38 dom. +0.02 bre. -0.17`	HIS	chainID: A, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 413.0 Å³ d(Fe-oop): 0.059 Å
3rkh-A-1001	`sad. +0.02 ruf. -0.38 dom. +0.02 bre. -0.17`	HIS	chainID: A, resSeq: 44, molecule: Eight-heme nitrite reductase
3rkh-B-1004	`sad. +0.54 ruf. -0.53 dom. +0.12 bre. +0.01`	LYS	chainID: B, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 377.0 Å³ d(Fe-oop): 0.020 Å
3rkh-B-1004	`sad. +0.54 ruf. -0.53 dom. +0.12 bre. +0.01`	NO2	chainID: B, resSeq: 1, molecule: NITRITE ION
3rkh-B-1005	`sad. +1.14 ruf. -0.39 dom. -0.01 bre. +0.11`	HIS	chainID: B, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 472.0 Å³ d(Fe-oop): 0.041 Å
3rkh-B-1005	`sad. +1.14 ruf. -0.39 dom. -0.01 bre. +0.11`	HIS	chainID: B, resSeq: 398, molecule: Eight-heme nitrite reductase
3rkh-B-1006	`sad. -0.23 ruf. -0.81 dom. +0.22 bre. +0.07`	HIS	chainID: B, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 409.0 Å³ d(Fe-oop): 0.030 Å
3rkh-B-1006	`sad. -0.23 ruf. -0.81 dom. +0.22 bre. +0.07`	HIS	chainID: B, resSeq: 300, molecule: Eight-heme nitrite reductase
3rkh-B-1007	`sad. +0.76 ruf. -0.68 dom. -0.10 bre. +0.06`	HIS	chainID: B, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 405.0 Å³ d(Fe-oop): 0.049 Å
3rkh-B-1007	`sad. +0.76 ruf. -0.68 dom. -0.10 bre. +0.06`	HIS	chainID: B, resSeq: 491, molecule: Eight-heme nitrite reductase
3rkh-B-1008	`sad. -0.32 ruf. -0.96 dom. +0.22 bre. +0.12`	HIS	chainID: B, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 526.0 Å³ d(Fe-oop): 0.051 Å
3rkh-B-1008	`sad. -0.32 ruf. -0.96 dom. +0.22 bre. +0.12`	HIS	chainID: B, resSeq: 415, molecule: Eight-heme nitrite reductase
3rkh-B-1002	`sad. -0.16 ruf. -0.48 dom. +0.03 bre. -0.06`	HIS	chainID: B, resSeq: 39, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 334.0 Å³ d(Fe-oop): 0.031 Å
3rkh-B-1002	`sad. -0.16 ruf. -0.48 dom. +0.03 bre. -0.06`	HIS	chainID: B, resSeq: 234, molecule: Eight-heme nitrite reductase
3rkh-B-1003	`sad. +0.34 ruf. -0.48 dom. +0.02 bre. +0.13`	HIS	chainID: B, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 501.0 Å³ d(Fe-oop): 0.015 Å
3rkh-B-1003	`sad. +0.34 ruf. -0.48 dom. +0.02 bre. +0.13`	HIS	chainID: B, resSeq: 70, molecule: Eight-heme nitrite reductase
3rkh-B-1001	`sad. -0.13 ruf. -0.39 dom. -0.03 bre. -0.19`	HIS	chainID: B, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 392.0 Å³ d(Fe-oop): 0.010 Å
3rkh-B-1001	`sad. -0.13 ruf. -0.39 dom. -0.03 bre. -0.19`	HIS	chainID: B, resSeq: 44, molecule: Eight-heme nitrite reductase