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Zinc in PDB 4i1f: Structure of Parkin-S223P E3 Ligase

Protein crystallography data

The structure of Structure of Parkin-S223P E3 Ligase, PDB code: 4i1f was solved by J.C.Lougheed, E.Brecht, N.H.Yao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.81 / 1.58
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 86.955, 133.155, 65.385, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 24.5

Other elements in 4i1f:

The structure of Structure of Parkin-S223P E3 Ligase also contains other interesting chemical elements:

Barium (Ba) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Parkin-S223P E3 Ligase (pdb code 4i1f). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Structure of Parkin-S223P E3 Ligase, PDB code: 4i1f:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 4i1f

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Zinc binding site 1 out of 8 in the Structure of Parkin-S223P E3 Ligase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Parkin-S223P E3 Ligase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn501

b:24.0
occ:0.70
NE2 A:HIS215 2.1 40.1 1.0
SG A:CYS212 2.2 24.4 1.0
SG A:CYS150 2.2 31.4 1.0
SG A:CYS154 2.4 35.4 1.0
CD2 A:HIS215 2.8 42.2 1.0
CB A:CYS212 3.0 20.8 1.0
CB A:CYS150 3.1 30.6 1.0
CE1 A:HIS215 3.2 42.1 1.0
CB A:CYS154 3.3 34.7 1.0
CG A:HIS215 4.1 42.6 1.0
N A:CYS154 4.1 35.2 1.0
ND1 A:HIS215 4.2 44.6 1.0
CG A:GLN158 4.3 31.1 1.0
CA A:CYS154 4.3 35.5 1.0
CD A:PRO153 4.4 48.4 1.0
CB A:ALA214 4.4 44.3 1.0
CA A:CYS212 4.6 21.5 1.0
CA A:CYS150 4.6 29.9 1.0
NE2 A:GLN158 4.6 46.5 1.0
N A:PRO153 4.9 47.1 1.0
CB A:GLN158 4.9 27.6 1.0

Zinc binding site 2 out of 8 in 4i1f

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Zinc binding site 2 out of 8 in the Structure of Parkin-S223P E3 Ligase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Parkin-S223P E3 Ligase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn502

b:33.9
occ:1.00
SG A:CYS196 1.8 32.7 1.0
SG A:CYS166 2.3 28.1 1.0
SG A:CYS169 2.4 37.2 1.0
SG A:CYS201 2.4 37.5 1.0
CB A:CYS201 3.0 44.2 1.0
CB A:CYS196 3.0 33.2 1.0
CB A:CYS166 3.1 28.6 1.0
CB A:CYS169 3.2 37.1 1.0
N A:CYS169 3.7 33.8 1.0
CA A:CYS169 4.1 36.5 1.0
OG1 A:THR173 4.3 37.4 1.0
CA A:CYS196 4.4 31.4 1.0
CB A:THR168 4.4 35.9 1.0
CA A:CYS201 4.5 48.0 1.0
CA A:CYS166 4.6 29.0 1.0
CA A:GLY203 4.7 31.9 1.0
N A:GLY203 4.8 31.2 1.0
C A:THR168 4.8 34.7 1.0
OG A:SER198 4.9 55.1 1.0
C A:CYS169 4.9 38.8 1.0
CG2 A:THR168 4.9 36.7 1.0
CA A:THR168 5.0 34.1 1.0
N A:THR168 5.0 28.9 1.0

Zinc binding site 3 out of 8 in 4i1f

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Zinc binding site 3 out of 8 in the Structure of Parkin-S223P E3 Ligase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Parkin-S223P E3 Ligase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn503

b:17.4
occ:1.00
SG A:CYS238 2.3 14.4 1.0
SG A:CYS263 2.3 16.9 1.0
SG A:CYS260 2.4 16.4 1.0
SG A:CYS241 2.4 20.1 1.0
CB A:CYS263 3.1 15.0 1.0
CB A:CYS238 3.2 14.2 1.0
CB A:CYS241 3.3 20.9 1.0
CB A:CYS260 3.5 17.2 1.0
N A:CYS241 3.6 19.7 1.0
O A:HOH632 3.8 37.7 1.0
CA A:CYS241 4.0 21.8 1.0
N A:CYS260 4.0 12.2 1.0
OG1 A:THR240 4.1 18.4 1.0
N A:CYS263 4.2 14.6 1.0
CA A:CYS260 4.3 15.2 1.0
CA A:CYS263 4.3 14.7 1.0
O A:HOH732 4.6 25.6 1.0
CA A:CYS238 4.7 14.5 1.0
C A:THR240 4.8 21.6 1.0
C A:CYS241 4.8 23.7 1.0
C A:CYS260 4.8 14.2 1.0
O A:CYS260 4.9 15.0 1.0
N A:THR240 5.0 17.7 1.0
N A:THR242 5.0 19.8 1.0

Zinc binding site 4 out of 8 in 4i1f

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Zinc binding site 4 out of 8 in the Structure of Parkin-S223P E3 Ligase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Parkin-S223P E3 Ligase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn504

b:17.7
occ:1.00
ND1 A:HIS257 2.0 17.0 1.0
SG A:CYS289 2.3 17.8 1.0
SG A:CYS253 2.3 17.3 1.0
SG A:CYS293 2.3 18.1 1.0
CG A:HIS257 3.0 14.7 1.0
CE1 A:HIS257 3.1 15.4 1.0
CB A:CYS289 3.2 18.8 1.0
CB A:CYS253 3.2 16.6 1.0
CB A:CYS293 3.3 18.2 1.0
CB A:HIS257 3.4 13.9 1.0
O A:HOH605 4.1 18.4 1.0
CB A:ALA291 4.2 22.0 1.0
NE2 A:HIS257 4.2 16.5 1.0
CD2 A:HIS257 4.2 17.6 1.0
N A:HIS257 4.3 14.3 1.0
CB A:SER255 4.4 17.7 1.0
CA A:HIS257 4.5 11.9 1.0
N A:CYS293 4.6 20.2 1.0
CA A:CYS293 4.6 20.2 1.0
CA A:CYS289 4.7 16.2 1.0
CA A:CYS253 4.7 16.1 1.0
CB A:PHE251 4.9 14.2 1.0
N A:ALA291 4.9 17.4 1.0

Zinc binding site 5 out of 8 in 4i1f

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Zinc binding site 5 out of 8 in the Structure of Parkin-S223P E3 Ligase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structure of Parkin-S223P E3 Ligase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn505

b:26.8
occ:1.00
SG A:CYS332 2.1 26.5 1.0
SG A:CYS360 2.3 29.3 1.0
SG A:CYS337 2.3 25.2 1.0
SG A:CYS352 2.3 27.8 1.0
CB A:CYS332 3.1 18.9 1.0
CB A:CYS352 3.1 30.4 1.0
CB A:CYS337 3.2 29.4 1.0
CB A:CYS360 3.3 30.7 1.0
N A:CYS360 3.7 35.7 1.0
CA A:CYS360 4.1 32.1 1.0
CB A:ARG334 4.4 33.0 1.0
CA A:CYS332 4.5 22.1 1.0
CB A:ALA339 4.5 24.1 1.0
CA A:CYS337 4.6 28.6 1.0
CA A:CYS352 4.6 30.9 1.0
CB A:PHE362 4.7 30.8 1.0
N A:GLY338 4.8 27.6 1.0
N A:ALA339 4.8 25.7 1.0
C A:GLY359 4.8 43.7 1.0
C A:CYS360 4.8 33.0 1.0
CA A:GLY359 4.9 47.4 1.0
C A:CYS337 5.0 28.1 1.0

Zinc binding site 6 out of 8 in 4i1f

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Zinc binding site 6 out of 8 in the Structure of Parkin-S223P E3 Ligase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structure of Parkin-S223P E3 Ligase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn506

b:38.2
occ:1.00
NE2 A:HIS373 2.2 30.1 1.0
SG A:CYS377 2.3 42.0 1.0
SG A:CYS368 2.3 33.9 1.0
SG A:CYS365 2.4 34.2 1.0
CE1 A:HIS373 3.1 32.5 1.0
CB A:CYS368 3.1 33.3 1.0
CB A:CYS365 3.2 32.5 1.0
CD2 A:HIS373 3.2 31.4 1.0
CB A:CYS377 3.4 40.6 1.0
N A:CYS368 3.7 37.4 1.0
CA A:CYS377 3.9 43.9 1.0
O A:HOH863 4.0 47.8 1.0
CA A:CYS368 4.0 35.4 1.0
ND1 A:HIS373 4.3 34.3 1.0
CG A:HIS373 4.3 33.4 1.0
NH1 A:ARG348 4.4 38.7 1.0
N A:CYS377 4.5 45.6 1.0
CA A:CYS365 4.6 31.4 1.0
CB A:GLU367 4.7 42.6 1.0
C A:GLU367 4.7 43.1 1.0
C A:CYS368 4.9 31.6 1.0
O A:CYS365 4.9 32.5 1.0
N A:LYS369 5.0 29.5 1.0
C A:CYS365 5.0 34.7 1.0

Zinc binding site 7 out of 8 in 4i1f

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Zinc binding site 7 out of 8 in the Structure of Parkin-S223P E3 Ligase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Structure of Parkin-S223P E3 Ligase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn507

b:28.1
occ:1.00
SG A:CYS441 2.3 29.1 1.0
SG A:CYS418 2.3 24.0 1.0
SG A:CYS421 2.4 30.7 1.0
SG A:CYS436 2.5 26.6 1.0
CB A:CYS441 2.9 26.4 1.0
CB A:CYS418 3.0 21.4 1.0
CB A:CYS436 3.2 21.3 1.0
CB A:CYS421 3.4 30.9 1.0
N A:CYS421 3.7 27.3 1.0
CA A:CYS421 4.0 30.5 1.0
CA A:CYS441 4.4 27.4 1.0
CA A:CYS418 4.5 22.2 1.0
CB A:LEU443 4.6 23.5 1.0
CA A:CYS436 4.6 20.8 1.0
CB A:GLN438 4.7 28.9 1.0
C A:ARG420 4.7 27.7 1.0
C A:CYS421 4.7 32.7 1.0
CG A:GLN438 4.8 38.1 1.0
CG A:ARG420 4.8 35.5 1.0
N A:LEU443 4.8 23.6 1.0
N A:ARG442 4.8 26.9 1.0
CB A:ARG420 4.8 26.9 1.0
C A:CYS441 4.8 25.9 1.0
N A:ARG420 4.9 26.7 1.0
N A:HIS422 4.9 26.9 1.0
CD A:ARG420 5.0 34.5 1.0

Zinc binding site 8 out of 8 in 4i1f

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Zinc binding site 8 out of 8 in the Structure of Parkin-S223P E3 Ligase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Structure of Parkin-S223P E3 Ligase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn508

b:15.9
occ:1.00
NE2 A:HIS461 2.0 13.5 1.0
SG A:CYS446 2.3 14.7 1.0
SG A:CYS457 2.3 17.5 1.0
SG A:CYS449 2.4 17.1 1.0
CE1 A:HIS461 2.9 13.1 1.0
CD2 A:HIS461 3.1 14.2 1.0
CB A:CYS449 3.1 16.0 1.0
CB A:CYS457 3.2 17.9 1.0
CB A:CYS446 3.2 12.9 1.0
O A:HOH858 3.5 17.5 1.0
N A:CYS449 3.8 17.5 1.0
CA A:CYS457 4.0 15.5 1.0
ND1 A:HIS461 4.1 13.4 1.0
CA A:CYS449 4.1 18.9 1.0
CG A:HIS461 4.2 12.4 1.0
CB A:ASN448 4.4 18.3 1.0
CA A:CYS446 4.6 13.1 1.0
ND2 A:ASN448 4.8 19.7 1.0
C A:ASN448 4.8 16.1 1.0
CZ3 A:TRP453 4.9 14.3 1.0
N A:ASN448 4.9 15.2 1.0
CA A:ASN448 5.0 16.5 1.0
N A:CYS457 5.0 14.8 1.0

Reference:

B.E.Riley, J.C.Lougheed, K.Callaway, M.Velasquez, E.Brecht, L.Nguyen, T.Shaler, D.Walker, Y.Yang, K.Regnstrom, L.Diep, Z.Zhang, S.Chiou, M.Bova, D.R.Artis, N.Yao, J.Baker, T.Yednock, J.A.Johnston. Structure and Function of Parkin E3 Ubiquitin Ligase Reveals Aspects of Ring and Hect Ligases. Nat Commun V. 4 1982 2013.
ISSN: ESSN 2041-1723
PubMed: 23770887
DOI: 10.1038/NCOMMS2982
Page generated: Sun Oct 27 00:27:13 2024

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