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Zinc in PDB 4aa6: The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation

Protein crystallography data

The structure of The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation, PDB code: 4aa6 was solved by J.W.Schwabe, L.Chapman, D.Rhodes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 2.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 121.677, 113.093, 62.363, 90.00, 117.45, 90.00
R / Rfree (%) 22.2 / n/a

Zinc Binding Sites:

The binding sites of Zinc atom in the The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation (pdb code 4aa6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation, PDB code: 4aa6:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 4aa6

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Zinc binding site 1 out of 8 in the The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn253

b:15.3
occ:1.00
 SG A:CYS205 2.2 8.6 1.0
SG A:CYS185 2.3 17.1 1.0
SG A:CYS188 2.3 15.6 1.0
SG A:CYS202 2.3 16.1 1.0
H A:CYS202 3.0 15.0 1.0
H A:CYS188 3.1 15.0 1.0
H A:CYS205 3.2 15.0 1.0
CB A:CYS185 3.2 13.5 1.0
CB A:CYS205 3.3 12.6 1.0
CB A:CYS188 3.4 11.8 1.0
CB A:CYS202 3.5 12.3 1.0
HH11 A:ARG234 3.5 15.0 1.0
HH21 A:ARG241 3.7 15.0 1.0
N A:CYS188 3.8 14.0 1.0
N A:CYS202 3.9 17.2 1.0
N A:CYS205 3.9 11.9 1.0
H A:ASP190 4.0 15.0 1.0
NH1 A:ARG234 4.1 11.1 1.0
CA A:CYS188 4.2 7.7 1.0
H1 A:HOH2009 4.2 20.0 1.0
CA A:CYS205 4.2 10.4 1.0
HH12 A:ARG234 4.3 15.0 1.0
CA A:CYS202 4.3 14.8 1.0
H A:VAL187 4.3 15.0 1.0
CB A:VAL187 4.5 5.9 1.0
HE A:ARG241 4.6 15.0 1.0
CA A:CYS185 4.7 16.3 1.0
H A:ASN189 4.7 15.0 1.0
CB A:ASP190 4.7 10.1 1.0
NH2 A:ARG241 4.7 6.8 1.0
C A:VAL187 4.7 12.8 1.0
C A:CYS188 4.8 10.8 1.0
C A:CYS202 4.9 14.9 1.0
O A:CYS202 4.9 14.2 1.0
CD A:ARG234 4.9 9.2 1.0
N A:ASP190 4.9 10.9 1.0
CA A:VAL187 5.0 9.0 1.0
N A:ASN189 5.0 8.8 1.0
N A:VAL187 5.0 14.6 1.0

Zinc binding site 2 out of 8 in 4aa6

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Zinc binding site 2 out of 8 in the The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn254

b:15.5
occ:1.00
 SG A:CYS227 2.2 6.6 1.0
SG A:CYS221 2.3 12.5 1.0
SG A:CYS237 2.3 14.1 1.0
SG A:CYS240 2.3 19.5 1.0
CB A:CYS221 3.3 12.9 1.0
CB A:CYS227 3.3 14.8 1.0
CB A:CYS237 3.3 17.0 1.0
H A:CYS227 3.4 15.0 1.0
CB A:CYS240 3.4 11.8 1.0
H A:CYS240 3.4 15.0 1.0
H1 A:HOH2020 3.5 20.0 1.0
H A:ASN225 3.7 15.0 1.0
H2 A:HOH2023 3.8 20.0 1.0
H A:GLN226 3.9 15.0 1.0
H A:ALA223 3.9 15.0 1.0
CA A:CYS221 4.0 14.5 1.0
CD A:PRO222 4.0 9.8 1.0
O A:HOH2020 4.1 15.7 1.0
N A:CYS227 4.1 7.8 1.0
N A:CYS240 4.2 6.8 1.0
HH12 A:ARG243 4.2 15.0 1.0
H1 A:HOH2023 4.2 20.0 1.0
CA A:ASN225 4.2 7.3 1.0
CA A:CYS227 4.3 10.8 1.0
N A:ASN225 4.3 11.9 1.0
CA A:CYS240 4.4 12.8 1.0
N A:GLN226 4.5 2.0 1.0
O A:HOH2023 4.5 10.8 1.0
N A:PRO222 4.6 13.4 1.0
CA A:CYS237 4.7 17.2 1.0
C A:CYS221 4.7 14.0 1.0
C A:ASN225 4.8 6.0 1.0
CG A:PRO222 4.8 10.9 1.0
N A:ALA223 4.9 18.1 1.0
HH11 A:ARG243 4.9 15.0 1.0
NH1 A:ARG243 4.9 5.2 1.0
H2 A:HOH2020 4.9 20.0 1.0

Zinc binding site 3 out of 8 in 4aa6

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Zinc binding site 3 out of 8 in the The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn253

b:22.6
occ:1.00
 SG B:CYS205 2.3 18.2 1.0
SG B:CYS188 2.3 21.8 1.0
SG B:CYS185 2.3 27.1 1.0
SG B:CYS202 2.3 25.9 1.0
H B:CYS188 2.9 15.0 1.0
H B:CYS202 3.1 15.0 1.0
H B:CYS205 3.2 15.0 1.0
CB B:CYS205 3.3 15.0 1.0
CB B:CYS185 3.4 19.7 1.0
CB B:CYS188 3.4 19.0 1.0
CB B:CYS202 3.5 20.9 1.0
HH21 B:ARG241 3.6 15.0 1.0
HH11 B:ARG234 3.7 15.0 1.0
N B:CYS188 3.7 15.9 1.0
H B:ASP190 3.9 15.0 1.0
N B:CYS205 4.0 14.4 1.0
N B:CYS202 4.0 25.4 1.0
NH1 B:ARG234 4.1 21.9 1.0
CA B:CYS188 4.1 17.1 1.0
CA B:CYS205 4.3 13.6 1.0
HH12 B:ARG234 4.3 15.0 1.0
CA B:CYS202 4.3 19.2 1.0
H B:VAL187 4.4 15.0 1.0
CB B:VAL187 4.4 14.0 1.0
H B:ASN189 4.5 15.0 1.0
NH2 B:ARG241 4.6 12.6 1.0
CB B:ASP190 4.6 20.6 1.0
C B:VAL187 4.7 17.9 1.0
C B:CYS188 4.7 20.5 1.0
CD B:ARG234 4.8 12.8 1.0
HE B:ARG241 4.8 15.0 1.0
CA B:CYS185 4.8 23.0 1.0
N B:ASP190 4.8 25.4 1.0
N B:ASN189 4.8 26.6 1.0
CZ B:ARG234 4.9 11.8 1.0
CA B:VAL187 4.9 17.9 1.0
C B:CYS202 4.9 17.5 1.0
CG1 B:VAL187 4.9 10.4 1.0
HH22 B:ARG241 5.0 15.0 1.0

Zinc binding site 4 out of 8 in 4aa6

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Zinc binding site 4 out of 8 in the The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn254

b:17.0
occ:1.00
 SG B:CYS227 2.2 6.2 1.0
SG B:CYS221 2.3 12.6 1.0
SG B:CYS237 2.3 15.2 1.0
SG B:CYS240 2.3 15.0 1.0
H B:CYS227 3.2 15.0 1.0
H1 B:HOH2012 3.3 20.0 1.0
CB B:CYS227 3.3 16.4 1.0
CB B:CYS237 3.3 12.8 1.0
CB B:CYS221 3.3 17.8 1.0
CB B:CYS240 3.4 12.1 1.0
H B:CYS240 3.4 15.0 1.0
H2 B:HOH2013 3.5 20.0 1.0
H B:GLN226 3.8 15.0 1.0
H B:ASN225 3.8 15.0 1.0
N B:CYS227 3.9 8.1 1.0
CA B:CYS221 4.0 14.4 1.0
O B:HOH2012 4.0 24.9 1.0
N B:CYS240 4.1 12.6 1.0
H1 B:HOH2013 4.2 20.0 1.0
H B:ALA223 4.2 15.0 1.0
CD B:PRO222 4.2 4.0 1.0
CA B:CYS227 4.2 12.3 1.0
CA B:ASN225 4.3 10.1 1.0
O B:HOH2013 4.3 21.5 1.0
CA B:CYS240 4.3 13.3 1.0
N B:GLN226 4.4 5.9 1.0
N B:ASN225 4.4 11.4 1.0
HH12 B:ARG243 4.5 15.0 1.0
N B:PRO222 4.6 5.4 1.0
C B:CYS221 4.7 10.8 1.0
H2 B:HOH2012 4.7 20.0 1.0
C B:ASN225 4.7 9.3 1.0
CA B:CYS237 4.7 15.7 1.0
CG B:PRO222 5.0 3.4 1.0
C B:GLN226 5.0 6.2 1.0
CB B:ALA239 5.0 2.0 1.0
N B:ALA223 5.0 10.1 1.0

Zinc binding site 5 out of 8 in 4aa6

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Zinc binding site 5 out of 8 in the The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn253

b:22.3
occ:1.00
 SG E:CYS205 2.3 12.3 1.0
SG E:CYS188 2.3 23.8 1.0
SG E:CYS185 2.3 22.9 1.0
SG E:CYS202 2.3 22.2 1.0
H E:CYS188 3.1 15.0 1.0
H E:CYS202 3.1 15.0 1.0
H2 E:HOH2002 3.2 20.0 1.0
H E:CYS205 3.3 15.0 1.0
H1 E:HOH2002 3.3 20.0 1.0
CB E:CYS205 3.3 16.5 1.0
CB E:CYS185 3.3 22.1 1.0
CB E:CYS188 3.4 21.5 1.0
CB E:CYS202 3.5 12.2 1.0
H1 E:HOH2003 3.5 20.0 1.0
HH21 E:ARG241 3.7 15.0 1.0
N E:CYS188 3.7 21.4 1.0
O E:HOH2002 3.8 24.2 1.0
N E:CYS202 4.0 21.1 1.0
N E:CYS205 4.0 19.0 1.0
H2 E:HOH2003 4.1 20.0 1.0
H E:ASP190 4.1 15.0 1.0
CA E:CYS188 4.1 17.4 1.0
CA E:CYS205 4.3 15.4 1.0
O E:HOH2003 4.3 19.9 1.0
CA E:CYS202 4.3 14.9 1.0
H E:VAL187 4.5 15.0 1.0
CB E:VAL187 4.5 19.3 1.0
NH2 E:ARG241 4.6 2.0 1.0
CB E:ASP190 4.7 27.5 1.0
C E:CYS188 4.7 18.1 1.0
C E:VAL187 4.7 24.2 1.0
CA E:CYS185 4.7 27.3 1.0
H E:ASN189 4.7 15.0 1.0
HE E:ARG241 4.8 15.0 1.0
C E:CYS202 4.9 15.6 1.0
N E:ASP190 5.0 28.5 1.0
O E:CYS202 5.0 16.7 1.0
N E:ASN189 5.0 19.9 1.0

Zinc binding site 6 out of 8 in 4aa6

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Zinc binding site 6 out of 8 in the The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn254

b:15.3
occ:1.00
 SG E:CYS227 2.3 7.4 1.0
SG E:CYS221 2.3 12.9 1.0
SG E:CYS237 2.3 16.8 1.0
SG E:CYS240 2.3 15.6 1.0
CB E:CYS227 3.3 13.2 1.0
H E:CYS227 3.3 15.0 1.0
CB E:CYS237 3.3 14.0 1.0
CB E:CYS221 3.4 13.1 1.0
CB E:CYS240 3.4 12.9 1.0
H E:CYS240 3.4 15.0 1.0
H1 E:HOH2014 3.5 20.0 1.0
H1 E:HOH2016 3.6 20.0 1.0
H E:ASN225 3.9 15.0 1.0
H E:ALA223 4.0 15.0 1.0
N E:CYS227 4.1 9.4 1.0
H E:GLN226 4.1 15.0 1.0
N E:CYS240 4.1 5.0 1.0
CA E:CYS221 4.1 16.8 1.0
O E:HOH2014 4.2 15.2 1.0
CA E:CYS227 4.3 8.9 1.0
CD E:PRO222 4.3 11.4 1.0
CA E:ASN225 4.3 11.1 1.0
CA E:CYS240 4.3 12.0 1.0
O E:HOH2016 4.4 2.0 1.0
N E:ASN225 4.5 17.8 1.0
N E:GLN226 4.6 6.8 1.0
HH12 E:ARG243 4.7 15.0 1.0
CA E:CYS237 4.8 10.6 1.0
C E:ASN225 4.8 9.0 1.0
N E:PRO222 4.8 11.5 1.0
C E:CYS221 4.9 16.2 1.0
CB E:ALA239 4.9 13.6 1.0
N E:ALA223 4.9 9.9 1.0
H2 E:HOH2016 5.0 20.0 1.0

Zinc binding site 7 out of 8 in 4aa6

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Zinc binding site 7 out of 8 in the The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn253

b:21.1
occ:1.00
 SG F:CYS205 2.3 11.6 1.0
SG F:CYS185 2.3 20.8 1.0
SG F:CYS188 2.3 27.1 1.0
SG F:CYS202 2.3 18.4 1.0
H F:CYS188 2.9 15.0 1.0
HH11 F:ARG234 3.0 15.0 1.0
H F:CYS202 3.0 15.0 1.0
H F:CYS205 3.2 15.0 1.0
CB F:CYS185 3.3 14.7 1.0
CB F:CYS205 3.3 15.8 1.0
CB F:CYS188 3.4 23.5 1.0
CB F:CYS202 3.5 19.2 1.0
N F:CYS188 3.7 17.1 1.0
NH1 F:ARG234 3.7 54.8 1.0
HH21 F:ARG241 3.8 15.0 1.0
HH12 F:ARG234 3.9 15.0 1.0
H F:ASP190 3.9 15.0 1.0
N F:CYS202 3.9 22.1 1.0
N F:CYS205 4.0 14.5 1.0
CA F:CYS188 4.1 19.4 1.0
H2 F:HOH2002 4.2 20.0 1.0
CA F:CYS205 4.3 15.2 1.0
CA F:CYS202 4.3 16.4 1.0
H F:VAL187 4.3 15.0 1.0
H F:ASN189 4.4 15.0 1.0
CB F:VAL187 4.5 11.7 1.0
CD F:ARG234 4.6 51.1 1.0
CB F:ASP190 4.6 22.5 1.0
CA F:CYS185 4.7 15.3 1.0
C F:CYS188 4.7 21.8 1.0
C F:VAL187 4.8 18.4 1.0
HE F:ARG241 4.8 15.0 1.0
N F:ASN189 4.8 27.9 1.0
CZ F:ARG234 4.8 54.4 1.0
NH2 F:ARG241 4.8 8.6 1.0
N F:ASP190 4.8 30.7 1.0
C F:CYS202 4.9 16.1 1.0

Zinc binding site 8 out of 8 in 4aa6

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Zinc binding site 8 out of 8 in the The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn254

b:16.1
occ:1.00
 SG F:CYS227 2.3 9.4 1.0
SG F:CYS221 2.3 9.2 1.0
SG F:CYS237 2.3 13.0 1.0
SG F:CYS240 2.3 12.1 1.0
CB F:CYS227 3.3 16.5 1.0
H F:CYS227 3.3 15.0 1.0
CB F:CYS221 3.3 16.6 1.0
CB F:CYS237 3.3 16.2 1.0
CB F:CYS240 3.4 11.3 1.0
H F:CYS240 3.6 15.0 1.0
H2 E:HOH2016 3.6 20.0 1.0
H1 F:HOH2010 3.6 20.0 1.0
H1 F:HOH2013 3.7 20.0 1.0
H F:ASN225 3.9 15.0 1.0
CA F:CYS221 4.0 14.3 1.0
H F:GLN226 4.0 15.0 1.0
N F:CYS227 4.1 9.4 1.0
H F:ALA223 4.1 15.0 1.0
N F:CYS240 4.2 9.0 1.0
H2 F:HOH2008 4.2 20.0 1.0
CA F:CYS227 4.3 11.9 1.0
H2 F:HOH2013 4.3 20.0 1.0
O F:HOH2010 4.3 21.7 1.0
CD F:PRO222 4.3 8.1 1.0
CA F:ASN225 4.4 15.4 1.0
O E:HOH2016 4.4 2.0 1.0
CA F:CYS240 4.4 12.0 1.0
O F:HOH2013 4.5 13.4 1.0
N F:ASN225 4.5 18.6 1.0
N F:GLN226 4.6 11.3 1.0
CA F:CYS237 4.7 25.6 1.0
N F:PRO222 4.8 5.4 1.0
C F:CYS221 4.8 10.3 1.0
C F:ASN225 4.8 13.6 1.0
CB F:ALA239 4.9 2.0 1.0

Reference:

J.W.Schwabe, L.Chapman, D.Rhodes. The Oestrogen Receptor Recognizes An Imperfectly Palindromic Response Element Through An Alternative Side-Chain Conformation. Structure V. 3 201 1995.
ISSN: ISSN 0969-2126
PubMed: 7735836
DOI: 10.1016/S0969-2126(01)00150-2
Page generated: Sat Oct 26 19:09:18 2024

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