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PyDISH No: 07089

PDB: 3rur,
chainID: D, resSeq: 200
heme type: B

distortion

Protein data

function: unclassified
experiment: X-RAY DIFFRACTION
resolution: 1.7 Å
origomeric count: 1

axial ligand #1: MSE

chainID: D,
resSeq: 362,
Coordination distance[Å]: 2.51
molecule: Iron-regulated surface determinant protein B
Organism: Staphylococcus aureus subsp. aureus

axial ligand #2: TYR

chainID: D,
resSeq: 440,
Coordination distance[Å]: 2.189
molecule: same as ligand #1

List of other hemes in pdb:3rur

ID of heme	Distortion	Axial ligands on heme		Function & structure
3rur-A-200	`sad. +0.34 ruf. -0.05 dom. +0.07 bre. -0.19`	MSE	chainID: A, resSeq: 362, molecule: Iron-regulated surface determinant protein B	unclassified oligomeric count: 1 pocket vol.: 531.0 Å³ d(Fe-oop): 0.021 Å
3rur-A-200	`sad. +0.34 ruf. -0.05 dom. +0.07 bre. -0.19`	TYR	chainID: A, resSeq: 440, molecule: Iron-regulated surface determinant protein B
3rur-B-200	`sad. -0.06 ruf. -0.03 dom. +0.33 bre. -0.11`	MSE	chainID: B, resSeq: 362, molecule: Iron-regulated surface determinant protein B	unclassified oligomeric count: 1 pocket vol.: 531.0 Å³ d(Fe-oop): 0.136 Å
3rur-B-200	`sad. -0.06 ruf. -0.03 dom. +0.33 bre. -0.11`	TYR	chainID: B, resSeq: 440, molecule: Iron-regulated surface determinant protein B
3rur-C-200	`sad. +0.28 ruf. -0.03 dom. +0.10 bre. -0.21`	MSE	chainID: C, resSeq: 362, molecule: Iron-regulated surface determinant protein B	unclassified oligomeric count: 1 pocket vol.: 535.0 Å³ d(Fe-oop): 0.021 Å
3rur-C-200	`sad. +0.28 ruf. -0.03 dom. +0.10 bre. -0.21`	TYR	chainID: C, resSeq: 440, molecule: Iron-regulated surface determinant protein B