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PyDISH No: 07144

PDB: 3sce,
chainID: B, resSeq: 1002
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.45 Å

axial ligand #1: HIS

chainID: B,
resSeq: 39,
Coordination distance[Å]: 1.96
molecule: Eight-heme nitrite reductase
EC number: 1.7.2.-
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: B,
resSeq: 234,
Coordination distance[Å]: 1.957
molecule: same as ligand #1

List of other hemes in pdb:3sce

ID of heme	Distortion	Axial ligands on heme		Function & structure
3sce-A-1004	`sad. +0.53 ruf. -0.49 dom. +0.08 bre. -0.14`	LYS	chainID: A, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 420.0 Å³ d(Fe-oop): 0.030 Å
3sce-A-1004	`sad. +0.53 ruf. -0.49 dom. +0.08 bre. -0.14`	PO4	chainID: A, resSeq: 1, molecule: PHOSPHATE ION
3sce-A-1005	`sad. +1.12 ruf. -0.31 dom. -0.03 bre. +0.00`	HIS	chainID: A, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 534.0 Å³ d(Fe-oop): 0.015 Å
3sce-A-1005	`sad. +1.12 ruf. -0.31 dom. -0.03 bre. +0.00`	HIS	chainID: A, resSeq: 398, molecule: Eight-heme nitrite reductase
3sce-A-1006	`sad. -0.19 ruf. -0.74 dom. +0.22 bre. -0.06`	HIS	chainID: A, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 405.0 Å³ d(Fe-oop): 0.010 Å
3sce-A-1006	`sad. -0.19 ruf. -0.74 dom. +0.22 bre. -0.06`	HIS	chainID: A, resSeq: 300, molecule: Eight-heme nitrite reductase
3sce-A-1007	`sad. +0.77 ruf. -0.64 dom. -0.12 bre. -0.04`	HIS	chainID: A, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 471.0 Å³ d(Fe-oop): 0.030 Å
3sce-A-1007	`sad. +0.77 ruf. -0.64 dom. -0.12 bre. -0.04`	HIS	chainID: A, resSeq: 491, molecule: Eight-heme nitrite reductase
3sce-A-1008	`sad. -0.43 ruf. -0.76 dom. +0.17 bre. -0.07`	HIS	chainID: A, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 555.0 Å³ d(Fe-oop): 0.021 Å
3sce-A-1008	`sad. -0.43 ruf. -0.76 dom. +0.17 bre. -0.07`	HIS	chainID: A, resSeq: 415, molecule: Eight-heme nitrite reductase
3sce-A-1002	`sad. -0.12 ruf. -0.42 dom. +0.01 bre. -0.12`	HIS	chainID: A, resSeq: 39, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 384.0 Å³ d(Fe-oop): 0.032 Å
3sce-A-1002	`sad. -0.12 ruf. -0.42 dom. +0.01 bre. -0.12`	HIS	chainID: A, resSeq: 234, molecule: Eight-heme nitrite reductase
3sce-A-1003	`sad. +0.35 ruf. -0.55 dom. +0.02 bre. -0.10`	HIS	chainID: A, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 520.0 Å³ d(Fe-oop): 0.035 Å
3sce-A-1003	`sad. +0.35 ruf. -0.55 dom. +0.02 bre. -0.10`	HIS	chainID: A, resSeq: 70, molecule: Eight-heme nitrite reductase
3sce-A-1001	`sad. -0.02 ruf. -0.39 dom. -0.05 bre. -0.16`	HIS	chainID: A, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 443.0 Å³ d(Fe-oop): 0.049 Å
3sce-A-1001	`sad. -0.02 ruf. -0.39 dom. -0.05 bre. -0.16`	HIS	chainID: A, resSeq: 44, molecule: Eight-heme nitrite reductase
3sce-B-1004	`sad. +0.53 ruf. -0.51 dom. +0.09 bre. -0.15`	LYS	chainID: B, resSeq: 188, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 397.0 Å³ d(Fe-oop): 0.021 Å
3sce-B-1004	`sad. +0.53 ruf. -0.51 dom. +0.09 bre. -0.15`	HOH	chainID: B, resSeq: 1114, molecule: water
3sce-B-1005	`sad. +1.11 ruf. -0.32 dom. -0.04 bre. -0.03`	HIS	chainID: B, resSeq: 231, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 530.0 Å³ d(Fe-oop): 0.027 Å
3sce-B-1005	`sad. +1.11 ruf. -0.32 dom. -0.04 bre. -0.03`	HIS	chainID: B, resSeq: 398, molecule: Eight-heme nitrite reductase
3sce-B-1006	`sad. -0.21 ruf. -0.74 dom. +0.23 bre. -0.07`	HIS	chainID: B, resSeq: 119, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 412.0 Å³ d(Fe-oop): 0.001 Å
3sce-B-1006	`sad. -0.21 ruf. -0.74 dom. +0.23 bre. -0.07`	HIS	chainID: B, resSeq: 300, molecule: Eight-heme nitrite reductase
3sce-B-1007	`sad. +0.77 ruf. -0.63 dom. -0.11 bre. -0.02`	HIS	chainID: B, resSeq: 383, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 434.0 Å³ d(Fe-oop): 0.028 Å
3sce-B-1007	`sad. +0.77 ruf. -0.63 dom. -0.11 bre. -0.02`	HIS	chainID: B, resSeq: 491, molecule: Eight-heme nitrite reductase
3sce-B-1008	`sad. -0.41 ruf. -0.77 dom. +0.18 bre. -0.06`	HIS	chainID: B, resSeq: 372, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 581.0 Å³ d(Fe-oop): 0.014 Å
3sce-B-1008	`sad. -0.41 ruf. -0.77 dom. +0.18 bre. -0.06`	HIS	chainID: B, resSeq: 415, molecule: Eight-heme nitrite reductase
3sce-B-1003	`sad. +0.34 ruf. -0.50 dom. +0.00 bre. -0.11`	HIS	chainID: B, resSeq: 30, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 534.0 Å³ d(Fe-oop): 0.022 Å
3sce-B-1003	`sad. +0.34 ruf. -0.50 dom. +0.00 bre. -0.11`	HIS	chainID: B, resSeq: 70, molecule: Eight-heme nitrite reductase
3sce-B-1001	`sad. -0.22 ruf. -0.36 dom. -0.05 bre. -0.13`	HIS	chainID: B, resSeq: 18, molecule: Eight-heme nitrite reductase	oxidoreductase oligomeric count: 6 pocket vol.: 398.0 Å³ d(Fe-oop): 0.033 Å
3sce-B-1001	`sad. -0.22 ruf. -0.36 dom. -0.05 bre. -0.13`	HIS	chainID: B, resSeq: 44, molecule: Eight-heme nitrite reductase