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PyDISH No: 05576

PDB: 3f29,
chainID: A, resSeq: 1006
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.0 Å

axial ligand #1: HIS

chainID: A,
resSeq: 119,
Coordination distance[Å]: 1.922
molecule: Eight-heme nitrite reductase
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: A,
resSeq: 300,
Coordination distance[Å]: 1.927
molecule: same as ligand #1

List of other hemes in pdb:3f29

ID of heme	Distortion	Axial ligands on heme		Function & structure
3f29-A-1004	`sad. +0.58 ruf. -0.44 dom. +0.11 bre. -0.19`	LYS	chainID: A, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 396.0 Å³ d(Fe-oop): 0.101 Å
3f29-A-1004	`sad. +0.58 ruf. -0.44 dom. +0.11 bre. -0.19`	HOH	chainID: A, resSeq: 536, molecule: water
3f29-A-1005	`sad. +1.11 ruf. -0.21 dom. +0.01 bre. -0.11`	HIS	chainID: A, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 474.0 Å³ d(Fe-oop): 0.042 Å
3f29-A-1005	`sad. +1.11 ruf. -0.21 dom. +0.01 bre. -0.11`	HIS	chainID: A, resSeq: 398, molecule: Eight-heme nitrite reductase
3f29-A-1007	`sad. +0.75 ruf. -0.54 dom. -0.06 bre. -0.08`	HIS	chainID: A, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 463.0 Å³ d(Fe-oop): 0.052 Å
3f29-A-1007	`sad. +0.75 ruf. -0.54 dom. -0.06 bre. -0.08`	HIS	chainID: A, resSeq: 491, molecule: Eight-heme nitrite reductase
3f29-A-1008	`sad. -0.37 ruf. -0.67 dom. +0.22 bre. -0.23`	HIS	chainID: A, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 557.0 Å³ d(Fe-oop): 0.091 Å
3f29-A-1008	`sad. -0.37 ruf. -0.67 dom. +0.22 bre. -0.23`	HIS	chainID: A, resSeq: 415, molecule: Eight-heme nitrite reductase
3f29-A-1002	`sad. -0.06 ruf. -0.32 dom. +0.03 bre. -0.32`	HIS	chainID: A, resSeq: 39, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 373.0 Å³ d(Fe-oop): 0.072 Å
3f29-A-1002	`sad. -0.06 ruf. -0.32 dom. +0.03 bre. -0.32`	HIS	chainID: A, resSeq: 234, molecule: Eight-heme nitrite reductase
3f29-A-1003	`sad. +0.39 ruf. -0.45 dom. +0.04 bre. -0.17`	HIS	chainID: A, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 491.0 Å³ d(Fe-oop): 0.075 Å
3f29-A-1003	`sad. +0.39 ruf. -0.45 dom. +0.04 bre. -0.17`	HIS	chainID: A, resSeq: 70, molecule: Eight-heme nitrite reductase
3f29-A-1001	`sad. -0.01 ruf. -0.29 dom. -0.04 bre. -0.35`	HIS	chainID: A, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 425.0 Å³ d(Fe-oop): 0.049 Å
3f29-A-1001	`sad. -0.01 ruf. -0.29 dom. -0.04 bre. -0.35`	HIS	chainID: A, resSeq: 44, molecule: Eight-heme nitrite reductase
3f29-B-1004	`sad. +0.56 ruf. -0.50 dom. +0.11 bre. -0.19`	LYS	chainID: B, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 404.0 Å³ d(Fe-oop): 0.087 Å
3f29-B-1004	`sad. +0.56 ruf. -0.50 dom. +0.11 bre. -0.19`	HOH	chainID: B, resSeq: 537, molecule: water
3f29-B-1005	`sad. +1.12 ruf. -0.19 dom. +0.02 bre. -0.08`	HIS	chainID: B, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 513.0 Å³ d(Fe-oop): 0.071 Å
3f29-B-1005	`sad. +1.12 ruf. -0.19 dom. +0.02 bre. -0.08`	HIS	chainID: B, resSeq: 398, molecule: Eight-heme nitrite reductase
3f29-B-1006	`sad. -0.16 ruf. -0.70 dom. +0.23 bre. -0.20`	HIS	chainID: B, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 423.0 Å³ d(Fe-oop): 0.017 Å
3f29-B-1006	`sad. -0.16 ruf. -0.70 dom. +0.23 bre. -0.20`	HIS	chainID: B, resSeq: 300, molecule: Eight-heme nitrite reductase
3f29-B-1007	`sad. +0.73 ruf. -0.51 dom. -0.08 bre. -0.10`	HIS	chainID: B, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 460.0 Å³ d(Fe-oop): 0.068 Å
3f29-B-1007	`sad. +0.73 ruf. -0.51 dom. -0.08 bre. -0.10`	HIS	chainID: B, resSeq: 491, molecule: Eight-heme nitrite reductase
3f29-B-1008	`sad. -0.50 ruf. -0.75 dom. +0.17 bre. -0.18`	HIS	chainID: B, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 558.0 Å³ d(Fe-oop): 0.070 Å
3f29-B-1008	`sad. -0.50 ruf. -0.75 dom. +0.17 bre. -0.18`	HIS	chainID: B, resSeq: 415, molecule: Eight-heme nitrite reductase
3f29-B-1002	`sad. -0.10 ruf. -0.39 dom. +0.03 bre. -0.30`	HIS	chainID: B, resSeq: 39, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 353.0 Å³ d(Fe-oop): 0.073 Å
3f29-B-1002	`sad. -0.10 ruf. -0.39 dom. +0.03 bre. -0.30`	HIS	chainID: B, resSeq: 234, molecule: Eight-heme nitrite reductase
3f29-B-1003	`sad. +0.37 ruf. -0.38 dom. +0.05 bre. -0.18`	HIS	chainID: B, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 499.0 Å³ d(Fe-oop): 0.089 Å
3f29-B-1003	`sad. +0.37 ruf. -0.38 dom. +0.05 bre. -0.18`	HIS	chainID: B, resSeq: 70, molecule: Eight-heme nitrite reductase
3f29-B-1001	`sad. -0.21 ruf. -0.21 dom. -0.07 bre. -0.36`	HIS	chainID: B, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 421.0 Å³ d(Fe-oop): 0.027 Å
3f29-B-1001	`sad. -0.21 ruf. -0.21 dom. -0.07 bre. -0.36`	HIS	chainID: B, resSeq: 44, molecule: Eight-heme nitrite reductase