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Bromine in PDB 2nti: Crystal Structure of PCNA123 Heterotrimer.

Protein crystallography data

The structure of Crystal Structure of PCNA123 Heterotrimer., PDB code: 2nti was solved by V.Hlinkova, H.Ling, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.50
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 148.140, 222.330, 80.230, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 25.1

Other elements in 2nti:

The structure of Crystal Structure of PCNA123 Heterotrimer. also contains other interesting chemical elements:

Potassium (K) 1 atom

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 54;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of PCNA123 Heterotrimer. (pdb code 2nti). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 54 binding sites of Bromine where determined in the Crystal Structure of PCNA123 Heterotrimer., PDB code: 2nti:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 54 in 2nti

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Bromine binding site 1 out of 54 in the Crystal Structure of PCNA123 Heterotrimer.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of PCNA123 Heterotrimer. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br3015

b:40.3
occ:0.40
 N D:GLU32 3.5 36.9 1.0
CB D:THR31 3.6 33.8 1.0
CG D:PRO65 3.7 40.6 1.0
CA D:THR31 3.7 34.1 1.0
CB D:PRO65 3.8 39.9 1.0
C D:THR31 4.1 35.5 1.0
CG2 D:THR31 4.2 32.9 1.0
CB D:GLU32 4.3 38.9 1.0
CG1 D:VAL122 4.3 44.9 1.0
CG D:GLU32 4.3 56.2 1.0
CA D:GLU32 4.5 38.6 1.0
OE2 D:GLU32 4.6 72.3 1.0
CD D:GLU32 4.6 67.8 1.0
CG2 D:VAL122 4.6 44.9 1.0
OG1 D:THR31 4.7 33.6 1.0

Bromine binding site 2 out of 54 in 2nti

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Bromine binding site 2 out of 54 in the Crystal Structure of PCNA123 Heterotrimer.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of PCNA123 Heterotrimer. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br3016

b:51.9
occ:0.40
 OD1 D:ASN17 3.2 42.1 1.0
OD1 D:ASN21 3.5 52.3 1.0
O D:LYS210 3.5 44.5 1.0
CG D:LYS210 3.5 44.2 1.0
ND2 D:ASN21 3.9 51.9 1.0
C D:LYS210 4.0 44.1 1.0
CD D:LYS210 4.1 47.9 1.0
CG D:ASN21 4.1 50.3 1.0
CG D:ASN17 4.2 40.2 1.0
CE D:LYS210 4.5 48.8 1.0
CA D:GLY211 4.5 47.5 1.0
N D:GLY211 4.5 45.5 1.0
CB D:LYS210 4.5 42.1 1.0
ND2 D:ASN17 4.5 41.6 1.0
O D:ASN17 4.8 41.9 1.0
CA D:LYS210 4.9 42.3 1.0
NH1 D:ARG213 5.0 62.7 1.0

Bromine binding site 3 out of 54 in 2nti

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Bromine binding site 3 out of 54 in the Crystal Structure of PCNA123 Heterotrimer.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of PCNA123 Heterotrimer. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br3027

b:53.4
occ:0.40
 O D:HOH3121 3.1 50.1 1.0
O D:LYS76 3.7 57.5 1.0
CB D:SER80 3.7 54.7 1.0
OG D:SER80 3.9 57.1 1.0
CZ D:PHE13 4.1 39.2 1.0
C D:LYS76 4.1 60.4 1.0
CG D:LYS76 4.2 66.2 1.0
CA D:LYS77 4.3 60.0 1.0
CE D:LYS76 4.3 74.1 1.0
N D:LYS77 4.3 60.1 1.0
CD D:LYS76 4.3 71.5 1.0
CB D:LYS76 4.8 63.0 1.0
ND2 D:ASN17 4.8 41.6 1.0
CE1 D:PHE13 4.8 38.7 1.0
CE2 D:PHE13 4.9 39.2 1.0

Bromine binding site 4 out of 54 in 2nti

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Bromine binding site 4 out of 54 in the Crystal Structure of PCNA123 Heterotrimer.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of PCNA123 Heterotrimer. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br3028

b:58.2
occ:0.40
 CD D:ARG51 3.2 50.8 1.0
NH1 D:ARG51 3.3 61.3 1.0
CD D:PRO53 3.6 36.8 1.0
CG D:PRO53 3.6 37.1 1.0
CD2 D:HIS240 3.9 37.6 1.0
O D:ARG51 4.0 35.1 1.0
NE D:ARG51 4.2 57.1 1.0
CG D:ARG51 4.2 42.2 1.0
CB D:PRO53 4.2 37.5 1.0
CZ D:ARG51 4.2 60.7 1.0
N D:PRO53 4.5 36.8 1.0
CG D:HIS240 4.5 36.4 1.0
CB D:ARG51 4.6 37.0 1.0
O D:HOH3042 4.7 32.9 1.0
C D:ARG51 4.7 35.5 1.0
NE2 D:HIS240 4.7 38.1 1.0
CB D:HIS240 4.8 35.3 1.0
N D:HIS240 4.8 36.0 1.0

Bromine binding site 5 out of 54 in 2nti

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Bromine binding site 5 out of 54 in the Crystal Structure of PCNA123 Heterotrimer.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of PCNA123 Heterotrimer. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br3037

b:52.2
occ:0.30
 NZ D:LYS129 3.1 35.0 1.0
CE D:LYS129 3.6 33.6 1.0
CD D:LYS129 3.8 33.6 1.0

Bromine binding site 6 out of 54 in 2nti

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Bromine binding site 6 out of 54 in the Crystal Structure of PCNA123 Heterotrimer.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of PCNA123 Heterotrimer. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br3039

b:66.1
occ:0.30
 N D:SER216 3.2 41.0 1.0
N D:VAL236 3.2 44.1 1.0
N D:ALA217 3.3 37.6 1.0
CG2 D:VAL236 3.4 48.7 1.0
CA D:PHE215 3.6 42.8 1.0
CA D:ALA235 3.6 39.9 1.0
CB D:PHE215 3.7 42.2 1.0
CB D:ALA217 3.7 36.1 1.0
C D:PHE215 3.7 42.2 1.0
O D:GLU234 3.8 37.7 1.0
OG D:SER216 3.9 41.5 1.0
C D:ALA235 3.9 41.6 1.0
CD2 D:PHE215 4.0 41.0 1.0
CB D:VAL236 4.0 47.3 1.0
O D:HOH3110 4.0 48.5 1.0
CA D:SER216 4.1 40.0 1.0
CA D:ALA217 4.1 36.3 1.0
CA D:VAL236 4.2 47.2 1.0
C D:SER216 4.2 39.0 1.0
CG D:PHE215 4.4 41.6 1.0
CB D:ALA235 4.5 39.7 1.0
N D:ALA235 4.5 38.6 1.0
C D:GLU234 4.5 38.0 1.0
CB D:SER216 4.6 40.4 1.0
OD1 D:ASP11 4.8 44.6 1.0
O D:PHE215 4.8 42.4 1.0
O D:GLY214 4.9 46.2 1.0
N D:PHE215 4.9 44.4 1.0

Bromine binding site 7 out of 54 in 2nti

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Bromine binding site 7 out of 54 in the Crystal Structure of PCNA123 Heterotrimer.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of PCNA123 Heterotrimer. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br3001

b:36.5
occ:0.50
 N E:THR120 3.1 54.0 1.0
O E:HOH3052 3.5 15.2 1.0
CA E:SER119 3.5 50.2 1.0
ND2 E:ASN27 3.7 20.5 1.0
O E:HOH3065 3.7 24.1 1.0
CD1 E:ILE29 3.7 19.0 1.0
C E:SER119 3.7 51.8 1.0
CB E:ASN27 3.9 20.3 1.0
CB E:SER119 3.9 50.3 1.0
O E:THR120 3.9 58.3 1.0
CA E:THR120 4.1 56.4 1.0
CB E:THR120 4.3 56.2 1.0
CG E:ASN27 4.3 20.4 1.0
OG1 E:THR120 4.4 56.4 1.0
OG E:SER119 4.4 51.4 1.0
C E:THR120 4.5 58.1 1.0
O E:SER38 4.6 24.5 1.0
O E:HOH3121 4.7 43.9 1.0
O E:GLU118 4.7 45.3 1.0
N E:SER119 4.7 47.7 1.0
CG1 E:ILE29 4.7 18.2 1.0
N E:ASN27 4.9 20.9 1.0
O E:SER119 4.9 51.7 1.0
CA E:ASN27 4.9 20.7 1.0

Bromine binding site 8 out of 54 in 2nti

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Bromine binding site 8 out of 54 in the Crystal Structure of PCNA123 Heterotrimer.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of PCNA123 Heterotrimer. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br3010

b:50.9
occ:0.50
 O E:HOH3051 3.2 18.6 1.0
O E:HOH3225 3.3 51.1 1.0
CE1 E:TYR201 3.8 34.1 1.0
CG2 E:VAL45 3.9 29.4 1.0
CG E:ARG244 4.1 43.1 1.0
NE E:ARG244 4.2 46.7 1.0
CG1 E:VAL45 4.3 29.3 1.0
O E:HOH3074 4.6 38.2 1.0
N E:GLY198 4.6 29.7 1.0
CA E:GLY198 4.6 29.5 1.0
OH E:TYR201 4.6 34.2 1.0
O E:HOH3216 4.6 46.0 1.0
CD1 E:TYR201 4.6 33.5 1.0
O C:HOH3091 4.7 58.8 1.0
O E:HOH3202 4.7 50.9 1.0
CZ E:TYR201 4.7 34.8 1.0
CB E:VAL45 4.7 29.3 1.0
CD E:ARG244 4.8 44.7 1.0
CZ E:ARG244 5.0 47.7 1.0
NH2 E:ARG244 5.0 48.0 1.0

Bromine binding site 9 out of 54 in 2nti

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Bromine binding site 9 out of 54 in the Crystal Structure of PCNA123 Heterotrimer.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of PCNA123 Heterotrimer. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br3013

b:46.4
occ:0.50
 N E:PRO130 3.5 32.1 1.0
C E:PHE129 3.6 33.0 1.0
O E:GLU128 3.7 38.5 1.0
CD E:PRO130 3.7 32.0 1.0
C E:GLU128 3.8 38.3 1.0
CB E:GLU128 3.8 40.1 1.0
CA E:PRO130 3.9 31.7 1.0
CB E:PRO130 3.9 31.7 1.0
N E:PHE129 4.0 36.2 1.0
O E:PHE129 4.0 33.1 1.0
CA E:PHE129 4.1 34.0 1.0
CG E:PRO130 4.2 32.0 1.0
CA E:GLU128 4.4 40.1 1.0
OE2 E:GLU128 4.8 44.6 1.0

Bromine binding site 10 out of 54 in 2nti

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Bromine binding site 10 out of 54 in the Crystal Structure of PCNA123 Heterotrimer.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of PCNA123 Heterotrimer. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br3017

b:56.5
occ:0.40
 CB E:LEU127 3.5 45.4 1.0
N E:LEU127 3.7 47.0 1.0
CE2 E:TYR240 3.7 26.7 1.0
OH E:TYR240 3.8 27.8 1.0
CE1 E:PHE129 3.8 29.5 1.0
NZ E:LYS226 3.9 28.0 1.0
CA E:LEU127 4.2 45.1 1.0
OD1 E:ASN126 4.2 53.4 1.0
CZ E:TYR240 4.3 27.4 1.0
O E:LEU127 4.3 43.6 1.0
CD E:LYS226 4.4 25.9 1.0
CA E:ASN126 4.4 49.5 1.0
CZ E:PHE129 4.5 28.6 1.0
C E:ASN126 4.5 48.7 1.0
CD2 E:LEU127 4.5 45.6 1.0
C E:LEU127 4.7 43.7 1.0
CG E:LEU127 4.7 45.6 1.0
CE E:LYS226 4.8 27.9 1.0
CD1 E:PHE129 4.8 29.7 1.0
CD2 E:TYR240 4.9 26.2 1.0

Reference:

V.Hlinkova, G.Xing, J.Bauer, Y.J.Shin, I.Dionne, K.R.Rajashankar, S.D.Bell, H.Ling. Structures of Monomeric, Dimeric and Trimeric Pcna: Pcna-Ring Assembly and Opening. Acta Crystallogr.,Sect.D V. 64 941 2008.
ISSN: ISSN 0907-4449
PubMed: 18703842
DOI: 10.1107/S0907444908021665
Page generated: Wed Jul 10 18:18:42 2024

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