Chlorine in PDB 8rb2: The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2

The structure of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2, PDB code: 8rb2 was solved by M.Thomsen, E.Costanzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.25 / 2.53
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	100.612, 104.29, 121.069, 110.03, 91.72, 110.21
R / Rfree (%)	21.1 / 25.6

The structure of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 also contains other interesting chemical elements:

Sodium

(Na)

5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Chlorine atom in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 (pdb code 8rb2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 17 binding sites of Chlorine where determined in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2, PDB code: 8rb2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 17 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:98.7 occ:1.00 O A:ASP654 4.0 61.7 1.0 CD2 A:LEU800 4.0 64.5 1.0 C A:ASP654 4.4 62.5 1.0 CB A:ASP654 4.5 65.4 1.0 OH A:TYR678 4.6 58.5 1.0 CB A:TYR656 4.6 66.2 1.0 CD1 A:LEU800 4.7 63.4 1.0 N A:TYR656 4.8 63.9 1.0 N A:VAL655 5.0 62.0 1.0 CG A:LEU800 5.0 63.5 1.0

Chlorine binding site 2 out of 17 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:105.7 occ:1.00 O A:HOH1164 3.5 82.8 1.0 O A:ALA771 4.0 65.8 1.0 O A:THR772 4.0 72.5 1.0 CA A:GLY775 4.5 62.9 1.0 C A:THR772 4.8 70.5 1.0 CA A:THR772 4.8 70.7 1.0

Chlorine binding site 3 out of 17 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1004 b:99.1 occ:1.00 O A:PHE23 4.2 71.8 1.0 CE2 A:PHE23 4.6 64.5 1.0 O A:GLN24 4.7 80.5 1.0 O A:MET26 4.7 78.9 1.0 O A:PRO27 4.8 73.5 1.0 O A:HOH1153 4.9 67.6 1.0 CD2 A:PHE23 4.9 66.9 1.0 NH1 A:ARG35 5.0 70.8 1.0

Chlorine binding site 4 out of 17 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1005 b:91.7 occ:1.00 NE A:ARG359 3.3 61.7 1.0 NH2 A:ARG359 3.6 61.3 1.0 CZ A:ARG359 3.9 61.1 1.0 O A:HOH1156 4.1 65.2 1.0 CG A:ARG359 4.2 62.4 1.0 CD A:ARG359 4.3 61.6 1.0 NH2 A:ARG355 4.3 78.1 1.0 CZ2 A:TRP345 4.4 65.5 1.0 O A:HOH1131 4.5 71.4 1.0 NE2 A:GLN601 4.7 68.5 1.0 NE1 A:TRP345 4.7 64.1 1.0 NE A:ARG355 4.8 78.5 1.0 CE2 A:TRP345 4.8 64.2 1.0 OE2 A:GLU358 4.9 72.2 1.0

Chlorine binding site 5 out of 17 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1009 b:101.6 occ:1.00 O A:GLN397 3.7 98.1 1.0 O A:ARG396 3.8 94.8 1.0 CB A:ALA398 4.0 94.5 1.0 C A:GLN397 4.1 96.5 1.0 CA A:ALA398 4.2 95.1 1.0 N A:ALA398 4.3 95.1 1.0 C A:ARG396 4.8 95.5 1.0 CG A:ARG396 4.9 96.2 0.5

Chlorine binding site 6 out of 17 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1010 b:104.4 occ:1.00 NE2 A:GLN170 3.9 97.3 1.0 OD2 A:ASP597 4.7 69.1 1.0 CG A:ASP597 4.8 67.6 1.0 OD1 A:ASP597 4.9 66.3 1.0 OE1 A:GLN344 5.0 71.8 1.0 O A:HOH1156 5.0 65.2 1.0

Chlorine binding site 7 out of 17 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1201 b:84.8 occ:1.00 O B:HOH1343 3.6 78.2 1.0 O B:ASN881 4.2 52.2 1.0 CB B:ASN881 4.2 58.0 1.0 CE2 B:TYR1028 4.3 62.8 1.0 C B:ASN881 4.3 53.6 1.0 OH B:TYR1028 4.5 63.3 1.0 CZ B:TYR1028 4.8 62.0 1.0 N B:THR882 4.8 53.5 1.0 CA B:ASN881 4.8 56.0 1.0 CG2 B:ILE1059 4.8 65.0 1.0 N B:ASP883 4.9 59.9 1.0 CA B:THR882 4.9 54.4 1.0

Chlorine binding site 8 out of 17 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1204 b:91.5 occ:1.00 N B:TYR465 3.9 77.6 1.0 O B:PHE463 4.3 75.6 1.0 CB B:TYR465 4.3 77.8 1.0 CA B:GLU464 4.4 78.0 1.0 C B:GLU464 4.7 77.6 1.0 SG B:CYS501 4.7 69.8 1.0 CA B:TYR465 4.7 77.5 1.0

Chlorine binding site 9 out of 17 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1205 b:107.8 occ:1.00 O B:GLN309 4.1 57.0 1.0 O B:HOH1358 4.4 63.6 1.0 O B:HOH1351 4.5 70.2 1.0 CG2 B:THR331 4.7 58.5 1.0 CG2 B:THR310 4.7 57.8 1.0 CA B:THR310 4.8 58.2 1.0 CB B:LYS308 5.0 54.2 1.0

Chlorine binding site 10 out of 17 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2_E749A/MSH3_E976A) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1206 b:102.6 occ:1.00 ND2 B:ASN524 3.0 83.2 0.5 CE1 B:HIS826 4.1 58.4 1.0 CG B:ASN524 4.2 84.1 0.5 O B:GLY398 4.3 63.0 1.0 NE2 B:HIS826 4.6 57.6 1.0 SG B:CYS822 4.6 59.1 1.0 OD1 B:ASN524 4.6 84.6 0.5 CB B:CYS822 4.6 58.7 1.0 C B:GLY398 4.7 62.8 1.0 OH B:TYR818 4.8 63.7 1.0 O B:THR397 4.8 61.6 1.0 O B:HOH1316 4.9 64.8 1.0 ND1 B:HIS819 4.9 71.4 1.0

M.Thomsen, T.Neudegger, G.Thieulin-Pardo, M.Blaesse, E.Costanzi, S.Steinbacher, N.V.Plotnikov, C.Dominguez, R.R.Iyer, H.A.Wilkinson, E.Monteagudo, T.S.Haque, B.C.Prasad, M.Finley, J.Boudet, T.F.Vogt, D.P.Felsenfeld. The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2/MSH3) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 and MSH3 To Be Published.