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PyDISH No: 16969

PDB: 8fda,
chainID: B, resSeq: 600
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.2 Å

axial ligand #1: CYS

chainID: B,
resSeq: 442,
Coordination distance[Å]: 2.339
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
EC number: 1.14.14.19,1.14.14.32
Organism: Homo sapiens

axial ligand #2: XPK

chainID: B,
resSeq: 601,
Coordination distance[Å]: 2.777
molecule: [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium
EC number: 1.14.14.19,1.14.14.32

List of other hemes in pdb:8fda

ID of heme	Distortion	Axial ligands on heme		Function & structure
8fda-A-600	`sad. -0.09 ruf. +0.10 dom. -0.31 bre. -0.30`	CYS	chainID: A, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 445.0 Å³ d(Fe-oop): 0.052 Å
8fda-A-600	`sad. -0.09 ruf. +0.10 dom. -0.31 bre. -0.30`	XPK	chainID: A, resSeq: 601, molecule: [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium
8fda-C-600	`sad. -0.04 ruf. +0.04 dom. -0.21 bre. -0.18`	CYS	chainID: C, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 442.0 Å³ d(Fe-oop): 0.175 Å
8fda-C-600	`sad. -0.04 ruf. +0.04 dom. -0.21 bre. -0.18`	XPK	chainID: C, resSeq: 601, molecule: [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium
8fda-D-600	`sad. -0.09 ruf. +0.27 dom. -0.21 bre. -0.11`	CYS	chainID: D, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 446.0 Å³ d(Fe-oop): 0.064 Å
8fda-D-600	`sad. -0.09 ruf. +0.27 dom. -0.21 bre. -0.11`	XPK	chainID: D, resSeq: 601, molecule: [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium