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PyDISH No: 06196

PDB: 3lgq,
chainID: A, resSeq: 1002
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.8 Å

axial ligand #1: HIS

chainID: A,
resSeq: 39,
Coordination distance[Å]: 1.936
molecule: Eight-heme nitrite reductase
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: A,
resSeq: 234,
Coordination distance[Å]: 1.926
molecule: same as ligand #1

List of other hemes in pdb:3lgq

ID of heme	Distortion	Axial ligands on heme		Function & structure
3lgq-A-1004	`sad. +0.58 ruf. -0.40 dom. +0.09 bre. -0.22`	LYS	chainID: A, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 432.0 Å³ d(Fe-oop): 0.021 Å
3lgq-A-1004	`sad. +0.58 ruf. -0.40 dom. +0.09 bre. -0.22`	SO3	chainID: A, resSeq: 526, molecule: SULFITE ION
3lgq-A-1005	`sad. +1.10 ruf. -0.27 dom. -0.00 bre. -0.09`	HIS	chainID: A, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 476.0 Å³ d(Fe-oop): 0.043 Å
3lgq-A-1005	`sad. +1.10 ruf. -0.27 dom. -0.00 bre. -0.09`	HIS	chainID: A, resSeq: 398, molecule: Eight-heme nitrite reductase
3lgq-A-1006	`sad. -0.20 ruf. -0.75 dom. +0.26 bre. -0.22`	HIS	chainID: A, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 429.0 Å³ d(Fe-oop): 0.030 Å
3lgq-A-1006	`sad. -0.20 ruf. -0.75 dom. +0.26 bre. -0.22`	HIS	chainID: A, resSeq: 300, molecule: Eight-heme nitrite reductase
3lgq-A-1007	`sad. +0.72 ruf. -0.63 dom. -0.05 bre. -0.11`	HIS	chainID: A, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 423.0 Å³ d(Fe-oop): 0.056 Å
3lgq-A-1007	`sad. +0.72 ruf. -0.63 dom. -0.05 bre. -0.11`	HIS	chainID: A, resSeq: 491, molecule: Eight-heme nitrite reductase
3lgq-A-1008	`sad. -0.36 ruf. -0.81 dom. +0.23 bre. -0.15`	HIS	chainID: A, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 535.0 Å³ d(Fe-oop): 0.071 Å
3lgq-A-1008	`sad. -0.36 ruf. -0.81 dom. +0.23 bre. -0.15`	HIS	chainID: A, resSeq: 415, molecule: Eight-heme nitrite reductase
3lgq-A-1003	`sad. +0.40 ruf. -0.46 dom. +0.05 bre. -0.14`	HIS	chainID: A, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 513.0 Å³ d(Fe-oop): 0.042 Å
3lgq-A-1003	`sad. +0.40 ruf. -0.46 dom. +0.05 bre. -0.14`	HIS	chainID: A, resSeq: 70, molecule: Eight-heme nitrite reductase
3lgq-A-1001	`sad. +0.05 ruf. -0.36 dom. -0.06 bre. -0.29`	HIS	chainID: A, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 417.0 Å³ d(Fe-oop): 0.049 Å
3lgq-A-1001	`sad. +0.05 ruf. -0.36 dom. -0.06 bre. -0.29`	HIS	chainID: A, resSeq: 44, molecule: Eight-heme nitrite reductase
3lgq-B-1004	`sad. +0.52 ruf. -0.43 dom. +0.10 bre. -0.13`	LYS	chainID: B, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 416.0 Å³ d(Fe-oop): 0.043 Å
3lgq-B-1004	`sad. +0.52 ruf. -0.43 dom. +0.10 bre. -0.13`	SO3	chainID: B, resSeq: 526, molecule: SULFITE ION
3lgq-B-1005	`sad. +1.06 ruf. -0.29 dom. +0.02 bre. -0.05`	HIS	chainID: B, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 488.0 Å³ d(Fe-oop): 0.058 Å
3lgq-B-1005	`sad. +1.06 ruf. -0.29 dom. +0.02 bre. -0.05`	HIS	chainID: B, resSeq: 398, molecule: Eight-heme nitrite reductase
3lgq-B-1006	`sad. -0.20 ruf. -0.76 dom. +0.23 bre. -0.13`	HIS	chainID: B, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 421.0 Å³ d(Fe-oop): 0.019 Å
3lgq-B-1006	`sad. -0.20 ruf. -0.76 dom. +0.23 bre. -0.13`	HIS	chainID: B, resSeq: 300, molecule: Eight-heme nitrite reductase
3lgq-B-1007	`sad. +0.77 ruf. -0.60 dom. -0.06 bre. -0.10`	HIS	chainID: B, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 428.0 Å³ d(Fe-oop): 0.048 Å
3lgq-B-1007	`sad. +0.77 ruf. -0.60 dom. -0.06 bre. -0.10`	HIS	chainID: B, resSeq: 491, molecule: Eight-heme nitrite reductase
3lgq-B-1008	`sad. -0.33 ruf. -0.80 dom. +0.22 bre. -0.12`	HIS	chainID: B, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 556.0 Å³ d(Fe-oop): 0.061 Å
3lgq-B-1008	`sad. -0.33 ruf. -0.80 dom. +0.22 bre. -0.12`	HIS	chainID: B, resSeq: 415, molecule: Eight-heme nitrite reductase
3lgq-B-1002	`sad. -0.11 ruf. -0.36 dom. -0.03 bre. -0.24`	HIS	chainID: B, resSeq: 39, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 359.0 Å³ d(Fe-oop): 0.004 Å
3lgq-B-1002	`sad. -0.11 ruf. -0.36 dom. -0.03 bre. -0.24`	HIS	chainID: B, resSeq: 234, molecule: Eight-heme nitrite reductase
3lgq-B-1003	`sad. +0.40 ruf. -0.49 dom. +0.01 bre. -0.17`	HIS	chainID: B, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 526.0 Å³ d(Fe-oop): 0.044 Å
3lgq-B-1003	`sad. +0.40 ruf. -0.49 dom. +0.01 bre. -0.17`	HIS	chainID: B, resSeq: 70, molecule: Eight-heme nitrite reductase
3lgq-B-1001	`sad. +0.00 ruf. -0.36 dom. -0.01 bre. -0.28`	HIS	chainID: B, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 411.0 Å³ d(Fe-oop): 0.059 Å
3lgq-B-1001	`sad. +0.00 ruf. -0.36 dom. -0.01 bre. -0.28`	HIS	chainID: B, resSeq: 44, molecule: Eight-heme nitrite reductase