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PyDISH No: 01345

PDB: 1jbq,
chainID: A, resSeq: 501
heme type: B

distortion

Protein data

function: lyase
experiment: X-RAY DIFFRACTION
resolution: 2.6 Å
origomeric count: 2

axial ligand #1: CYS

chainID: A,
resSeq: 52,
Coordination distance[Å]: 2.313
molecule: CYSTATHIONINE BETA-SYNTHASE
EC number: 4.2.1.22
Organism: Homo sapiens

axial ligand #2: HIS

chainID: A,
resSeq: 65,
Coordination distance[Å]: 2.246
molecule: same as ligand #1

List of other hemes in pdb:1jbq

ID of heme Distortion Axial ligands on heme Function & structure
1jbq-B-501
 sad. -0.16
ruf. -0.08
dom. -0.01
bre. -0.14
 CYS chainID: B,
resSeq: 52,
molecule: CYSTATHIONINE BETA-SYNTHASE		 lyase
oligomeric count: 2
pocket vol.: 509.0 Å3
d(Fe-oop): 0.005 Å
HIS chainID: B, resSeq: 65,
molecule: CYSTATHIONINE BETA-SYNTHASE
1jbq-C-501
 sad. -0.12
ruf. -0.08
dom. +0.00
bre. -0.14
 CYS chainID: C,
resSeq: 52,
molecule: CYSTATHIONINE BETA-SYNTHASE		 lyase
oligomeric count: 2
pocket vol.: 469.0 Å3
d(Fe-oop): 0.008 Å
HIS chainID: C, resSeq: 65,
molecule: CYSTATHIONINE BETA-SYNTHASE
1jbq-D-501
 sad. -0.14
ruf. -0.08
dom. -0.03
bre. -0.16
 CYS chainID: D,
resSeq: 52,
molecule: CYSTATHIONINE BETA-SYNTHASE		 lyase
oligomeric count: 2
pocket vol.: 487.0 Å3
d(Fe-oop): 0.009 Å
HIS chainID: D, resSeq: 65,
molecule: CYSTATHIONINE BETA-SYNTHASE
1jbq-E-501
 sad. -0.16
ruf. -0.08
dom. -0.03
bre. -0.14
 CYS chainID: E,
resSeq: 52,
molecule: CYSTATHIONINE BETA-SYNTHASE		 lyase
oligomeric count: 2
pocket vol.: 491.0 Å3
d(Fe-oop): 0.004 Å
HIS chainID: E, resSeq: 65,
molecule: CYSTATHIONINE BETA-SYNTHASE
1jbq-F-501
 sad. -0.16
ruf. -0.08
dom. +0.01
bre. -0.15
 CYS chainID: F,
resSeq: 52,
molecule: CYSTATHIONINE BETA-SYNTHASE		 lyase
oligomeric count: 2
pocket vol.: 478.0 Å3
d(Fe-oop): 0.001 Å
HIS chainID: F, resSeq: 65,
molecule: CYSTATHIONINE BETA-SYNTHASE