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Chlorine in PDB 4bmc: Crystal Structure of S.Pombe RAD4 BRCT1,2

Protein crystallography data

The structure of Crystal Structure of S.Pombe RAD4 BRCT1,2, PDB code: 4bmc was solved by Q.Meng, M.Rappas, C.P.Wardlaw, V.Garcia, A.M.Carr, A.W.Oliver, L.L.Du, L.H.Pearl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.639 / 1.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 36.670, 39.270, 72.120, 90.00, 103.62, 90.00
R / Rfree (%) 18.79 / 23.59

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of S.Pombe RAD4 BRCT1,2 (pdb code 4bmc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of S.Pombe RAD4 BRCT1,2, PDB code: 4bmc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4bmc

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Chlorine binding site 1 out of 7 in the Crystal Structure of S.Pombe RAD4 BRCT1,2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of S.Pombe RAD4 BRCT1,2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1187

b:40.2
occ:1.00
 O A:HOH2209 2.7 16.4 1.0
CA A:ARG174 3.7 13.9 1.0
CB A:ARG174 3.9 17.6 1.0
O A:HOH2213 3.9 19.2 0.6
N A:ARG174 3.9 12.6 1.0
CG A:GLN173 4.0 24.5 1.0
C A:GLN173 4.1 15.8 1.0
CD A:ARG174 4.2 17.4 1.0
O A:GLN173 4.2 14.3 1.0
O A:HOH2086 4.3 32.0 1.0
CB A:GLN173 4.4 13.6 1.0
O A:HOH2215 4.5 30.0 1.0
CG A:ARG174 4.6 20.9 1.0
O A:GLN170 4.9 10.7 1.0
CA A:GLN173 5.0 13.7 1.0

Chlorine binding site 2 out of 7 in 4bmc

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Chlorine binding site 2 out of 7 in the Crystal Structure of S.Pombe RAD4 BRCT1,2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of S.Pombe RAD4 BRCT1,2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1188

b:45.3
occ:1.00
 N A:SER38 3.4 31.5 1.0
N A:ASP39 3.7 26.6 1.0
CD A:ARG37 3.8 29.7 1.0
CA A:ARG37 3.9 26.0 1.0
CB A:ARG37 4.0 27.0 1.0
C A:ARG37 4.1 28.2 1.0
CA A:SER38 4.3 30.3 1.0
CB A:ASP39 4.4 34.8 1.0
CB A:SER38 4.4 33.9 1.0
O A:ASP39 4.5 27.9 1.0
CG2 A:THR41 4.5 28.9 1.0
CA A:ASP39 4.5 31.0 1.0
C A:SER38 4.5 27.8 1.0
CG A:ARG37 4.6 26.9 1.0
CG A:ASP39 4.8 36.8 1.0
OD2 A:ASP39 4.9 45.8 1.0
O A:TYR36 5.0 26.4 1.0
C A:ASP39 5.0 25.0 1.0

Chlorine binding site 3 out of 7 in 4bmc

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Chlorine binding site 3 out of 7 in the Crystal Structure of S.Pombe RAD4 BRCT1,2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of S.Pombe RAD4 BRCT1,2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1189

b:39.2
occ:1.00
 N A:PHE40 3.1 24.3 1.0
CB A:PHE40 3.7 25.5 1.0
O A:HOH2021 3.7 20.7 1.0
CE A:LYS56 3.9 21.4 1.0
CA A:ASP39 3.9 31.0 1.0
CA A:PHE40 4.0 24.9 1.0
C A:ASP39 4.0 25.0 1.0
CB A:ASP39 4.0 34.8 1.0
O A:HOH2043 4.3 43.3 1.0
CG A:LYS56 4.4 19.4 1.0
OD1 A:ASP39 4.4 39.2 1.0
CG A:ASP39 4.5 36.8 1.0
O A:PHE40 4.6 32.6 1.0
C A:PHE40 4.7 29.9 1.0
CD A:LYS56 4.7 16.5 1.0
NZ A:LYS56 4.9 22.0 1.0

Chlorine binding site 4 out of 7 in 4bmc

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Chlorine binding site 4 out of 7 in the Crystal Structure of S.Pombe RAD4 BRCT1,2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of S.Pombe RAD4 BRCT1,2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1190

b:35.4
occ:1.00
 N A:LEU109 2.9 8.1 1.0
O A:PRO133 3.1 14.8 1.0
NH1 A:ARG117 3.1 25.2 1.0
O A:CYS132 3.1 14.3 1.0
O A:LEU109 3.5 12.9 1.0
CA A:PRO133 3.6 16.0 1.0
C A:PRO133 3.6 14.2 1.0
NZ A:LYS151 3.6 26.4 1.0
SG A:CYS108 3.7 11.3 1.0
CA A:LEU109 3.7 10.9 1.0
CB A:LEU109 3.7 12.4 1.0
CZ A:PHE131 3.8 16.2 1.0
C A:CYS108 3.9 9.0 1.0
CA A:CYS108 3.9 7.2 1.0
C A:CYS132 3.9 11.7 1.0
CG A:LEU109 4.0 15.5 1.0
C A:LEU109 4.0 12.2 1.0
CE2 A:PHE131 4.1 18.1 1.0
N A:PRO133 4.2 15.0 1.0
CZ A:ARG117 4.2 26.6 1.0
NH2 A:ARG117 4.4 21.6 1.0
CB A:CYS108 4.4 6.5 1.0
O A:HOH2134 4.4 27.9 1.0
CE1 A:PHE131 4.6 17.2 1.0
O A:HOH2135 4.7 34.9 1.0
CD1 A:LEU109 4.8 11.0 1.0
O A:HOH2186 4.8 29.7 1.0
N A:ASP134 4.8 12.8 1.0
CB A:PRO133 4.9 15.2 1.0

Chlorine binding site 5 out of 7 in 4bmc

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Chlorine binding site 5 out of 7 in the Crystal Structure of S.Pombe RAD4 BRCT1,2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of S.Pombe RAD4 BRCT1,2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1191

b:27.0
occ:1.00
 O A:HOH2023 2.9 33.2 1.0
O A:HOH2009 2.9 30.2 1.0
NE A:ARG22 3.2 29.2 1.0
N A:ILE17 3.3 17.4 1.0
O A:ILE17 3.4 25.5 1.0
N A:SER16 3.5 13.2 1.0
CA A:THR15 3.5 13.2 1.0
C A:THR15 3.7 13.3 1.0
O A:CYS14 3.7 14.8 1.0
N A:THR15 3.8 13.1 1.0
C A:CYS14 3.8 12.0 1.0
CZ A:ARG22 3.9 30.8 1.0
NH2 A:ARG22 3.9 29.2 1.0
CB A:ILE17 3.9 17.1 1.0
CD A:ARG22 4.0 27.0 1.0
CA A:ILE17 4.0 21.9 1.0
CB A:CYS14 4.1 17.2 1.0
C A:ILE17 4.1 19.6 1.0
C A:SER16 4.3 17.2 1.0
CA A:SER16 4.3 13.8 1.0
CG1 A:ILE17 4.5 15.0 1.0
O A:HOH2005 4.5 36.1 1.0
O A:THR15 4.5 12.4 1.0
CA A:CYS14 4.6 13.4 1.0
CG A:ARG22 4.7 25.6 1.0
CB A:THR15 4.9 15.3 1.0
NH1 A:ARG22 4.9 23.8 1.0

Chlorine binding site 6 out of 7 in 4bmc

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Chlorine binding site 6 out of 7 in the Crystal Structure of S.Pombe RAD4 BRCT1,2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of S.Pombe RAD4 BRCT1,2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1192

b:34.4
occ:1.00
 O A:HOH2150 2.9 21.6 1.0
O A:HOH2046 3.0 27.7 1.0
N A:THR101 3.1 13.4 1.0
OG1 A:THR101 3.6 18.0 1.0
CA A:PRO100 3.7 19.3 1.0
CB A:THR101 3.8 18.8 1.0
O A:HIS127 3.9 15.6 1.0
C A:PRO100 3.9 14.4 1.0
O A:HOH2108 4.0 23.1 1.0
ND1 A:HIS127 4.0 15.3 1.0
CA A:HIS127 4.0 11.0 1.0
CA A:THR101 4.1 11.1 1.0
C A:HIS127 4.1 15.3 1.0
CB A:HIS127 4.2 11.2 1.0
CB A:PRO100 4.3 18.8 1.0
CG A:HIS127 4.5 15.0 1.0
O A:HOH2110 4.6 20.5 1.0
O A:LYS126 4.8 11.7 1.0
O A:LEU99 4.9 15.7 1.0
N A:PRO100 4.9 20.1 1.0
N A:GLY128 4.9 16.4 1.0

Chlorine binding site 7 out of 7 in 4bmc

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Chlorine binding site 7 out of 7 in the Crystal Structure of S.Pombe RAD4 BRCT1,2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of S.Pombe RAD4 BRCT1,2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1193

b:31.4
occ:1.00
 NE2 A:GLN170 2.7 17.8 0.4
O A:HOH2208 3.0 34.4 1.0
NE2 A:GLN170 3.4 17.2 0.6
CG A:GLU166 3.5 19.6 1.0
O A:HOH2212 3.7 38.1 1.0
CD A:GLN170 3.8 13.1 0.4
CG A:GLN170 3.8 11.7 0.6
CB A:TRP169 3.8 10.6 1.0
CD1 A:TRP169 4.0 14.9 1.0
CB A:GLU166 4.1 14.3 1.0
CG A:GLN170 4.1 12.2 0.4
CD A:GLN170 4.1 14.2 0.6
CA A:GLU166 4.3 11.3 1.0
CG A:TRP169 4.3 14.2 1.0
O A:GLU166 4.5 9.1 1.0
CD A:GLU166 4.6 29.8 1.0
OE2 A:GLU166 4.6 42.1 1.0
OE1 A:GLN170 4.9 12.7 0.4
C A:GLU166 4.9 10.2 1.0
N A:GLN170 5.0 10.0 1.0

Reference:

M.Qu, M.Rappas, C.P.Wardlaw, V.Garcia, J.Y.Ren, M.Day, A.M.Carr, A.W.Oliver, L.L.Du, L.H.Pearl. Phosphorylation-Dependent Assembly and Coordination of the Dna Damage Checkpoint Apparatus By RAD4(TOPBP1.). Mol.Cell V. 51 723 2013.
ISSN: ISSN 1097-2765
PubMed: 24074952
DOI: 10.1016/J.MOLCEL.2013.08.030
Page generated: Sun Jul 21 10:18:02 2024

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