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Chlorine in PDB 4ap0: The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib

Protein crystallography data

The structure of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib, PDB code: 4ap0 was solved by A.W.Schuettelkopf, S.K.Talapatra, F.Kozielski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.86 / 2.59
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.723, 112.607, 106.913, 90.00, 90.02, 90.00
R / Rfree (%) 20.4 / 25.3

Other elements in 4ap0:

The structure of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib (pdb code 4ap0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib, PDB code: 4ap0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4ap0

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Chlorine binding site 1 out of 10 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1367

b:38.5
occ:1.00
 N A:LEU30 2.9 63.4 1.0
N D:LEU30 3.2 40.8 1.0
CB A:LEU30 3.4 36.4 1.0
CG A:LEU30 3.5 33.1 1.0
CA D:ASN29 3.5 21.7 1.0
CB D:ASN29 3.5 32.0 1.0
CA A:LEU30 3.8 50.3 1.0
C A:ASN29 3.9 58.5 1.0
CG D:LEU30 3.9 31.5 1.0
CA A:ASN29 3.9 40.6 1.0
C D:ASN29 3.9 25.5 1.0
CD1 A:LEU30 4.0 48.1 1.0
CB A:ASN29 4.2 50.4 1.0
CB D:LEU30 4.2 15.3 1.0
CA D:LEU30 4.3 41.9 1.0
CD1 D:LEU30 4.6 49.2 1.0
O D:PHE28 4.7 44.1 1.0
CG D:ASN29 4.8 33.9 1.0
CD2 A:LEU30 4.8 29.9 1.0
N D:ASN29 4.8 22.5 1.0
CD2 D:LEU30 4.9 31.4 1.0
O A:PHE28 4.9 52.2 1.0
C A:LEU30 5.0 52.4 1.0
O A:ASN29 5.0 52.2 1.0

Chlorine binding site 2 out of 10 in 4ap0

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Chlorine binding site 2 out of 10 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1368

b:65.0
occ:1.00
 CZ A:PHE113 3.6 12.4 1.0
CG A:GLN78 3.6 22.0 1.0
CE2 A:PHE113 3.6 32.1 1.0
N A:GLN78 3.6 37.0 1.0
O A:THR76 3.9 29.1 1.0
CA A:LYS77 4.1 39.1 1.0
NH2 A:ARG24 4.1 41.5 1.0
C A:LYS77 4.2 32.8 1.0
CB A:GLN78 4.3 26.4 1.0
CD2 A:LEU132 4.4 16.6 1.0
CA A:GLN78 4.4 15.9 1.0
CD A:GLN78 4.5 32.2 1.0
O A:HOH2002 4.7 18.7 1.0
N1 A:ADP1003 4.8 19.4 1.0
C A:THR76 4.8 47.7 1.0
CE1 A:PHE113 4.9 19.7 1.0
O A:PRO131 4.9 27.5 1.0
N A:LYS77 4.9 47.2 1.0
CD2 A:PHE113 5.0 12.4 1.0

Chlorine binding site 3 out of 10 in 4ap0

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Chlorine binding site 3 out of 10 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2001

b:74.5
occ:1.00
 CLD A:G7X2001 0.0 74.5 1.0
CAE A:G7X2001 1.7 54.5 1.0
CAP A:G7X2001 2.7 59.6 1.0
CAF A:G7X2001 2.7 42.7 1.0
NH2 A:ARG221 3.1 50.4 1.0
CZ A:ARG221 3.2 56.5 1.0
NH1 A:ARG221 3.3 51.4 1.0
CD2 A:LEU160 3.4 45.3 1.0
C A:GLY217 3.6 50.5 1.0
O A:GLY217 3.6 39.0 1.0
CD2 A:LEU171 3.8 41.0 1.0
N A:ALA218 4.0 36.9 1.0
CAQ A:G7X2001 4.0 58.4 1.0
CAG A:G7X2001 4.0 33.3 1.0
NE A:ARG221 4.0 65.1 1.0
CA A:GLY217 4.1 64.5 1.0
O A:LEU214 4.4 81.7 1.0
CA A:ALA218 4.5 43.2 1.0
CAR A:G7X2001 4.5 38.1 1.0
CG A:ARG221 4.7 76.8 1.0
CB A:LEU171 4.9 50.5 1.0
CD A:ARG221 4.9 67.8 1.0
CG A:LEU160 4.9 33.6 1.0

Chlorine binding site 4 out of 10 in 4ap0

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Chlorine binding site 4 out of 10 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1360

b:60.0
occ:1.00
 CA B:LYS77 3.5 31.3 1.0
N B:GLN78 3.5 42.2 1.0
CG B:GLN78 3.6 28.3 1.0
CZ B:PHE113 3.6 20.5 1.0
O B:THR76 3.6 39.5 1.0
NH2 B:ARG24 3.8 73.3 1.0
C B:LYS77 3.9 30.4 1.0
CD2 B:LEU132 3.9 73.0 1.0
CE2 B:PHE113 4.1 23.8 1.0
CD B:LYS77 4.1 55.4 1.0
CB B:LYS77 4.2 23.8 1.0
CD B:GLN78 4.3 48.5 1.0
C B:THR76 4.5 39.0 1.0
N B:LYS77 4.5 40.1 1.0
CA B:GLN78 4.5 42.1 1.0
CB B:GLN78 4.6 43.5 1.0
CE1 B:PHE113 4.8 41.7 1.0
NE2 B:GLN78 4.8 46.4 1.0
CG B:LYS77 4.8 46.4 1.0
OE1 B:GLN78 4.8 43.4 1.0
CZ B:ARG24 5.0 36.0 1.0
N6 B:ADP1003 5.0 45.2 1.0

Chlorine binding site 5 out of 10 in 4ap0

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Chlorine binding site 5 out of 10 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1361

b:60.7
occ:1.00
 N B:PHE28 3.2 54.0 1.0
CB B:PHE28 3.7 34.2 1.0
CA B:PRO27 3.9 49.7 1.0
CA B:PHE28 4.0 41.6 1.0
C B:PRO27 4.0 50.2 1.0
CB B:PRO27 4.4 46.4 1.0
NH2 B:ARG33 4.5 83.3 1.0
CB B:ALA74 4.6 17.0 1.0
CG B:PHE28 4.7 32.6 1.0
CD2 B:PHE28 4.8 24.0 1.0

Chlorine binding site 6 out of 10 in 4ap0

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Chlorine binding site 6 out of 10 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1362

b:53.4
occ:1.00
 CG B:LYS34 4.7 16.9 1.0
CA B:LYS34 4.9 22.9 1.0

Chlorine binding site 7 out of 10 in 4ap0

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Chlorine binding site 7 out of 10 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2001

b:61.8
occ:1.00
 CLD B:G7X2001 0.0 61.8 1.0
CAE B:G7X2001 1.7 35.2 1.0
CAF B:G7X2001 2.7 33.8 1.0
CAP B:G7X2001 2.8 32.0 1.0
CD2 B:LEU160 3.2 63.9 1.0
O B:GLY217 4.0 24.4 1.0
C B:GLY217 4.0 55.3 1.0
CAG B:G7X2001 4.0 46.2 1.0
CZ B:ARG221 4.0 44.8 1.0
NH1 B:ARG221 4.0 21.9 1.0
CAQ B:G7X2001 4.0 41.2 1.0
N B:ALA218 4.2 63.3 1.0
NE B:ARG221 4.2 56.0 1.0
CA B:ALA218 4.4 69.2 1.0
NH2 B:ARG221 4.4 63.9 1.0
CD B:ARG221 4.5 46.4 1.0
CAR B:G7X2001 4.5 26.3 1.0
CA B:GLY217 4.6 56.0 1.0
OE2 B:GLU162 4.6 0.2 1.0
CG B:LEU160 4.6 41.9 1.0
O B:LEU214 4.7 45.1 1.0
CD1 B:LEU171 4.7 70.8 1.0
CB B:ARG221 4.7 42.0 1.0
CB B:LEU171 4.9 63.4 1.0
CG B:LEU171 5.0 62.3 1.0
CB B:ALA218 5.0 74.7 1.0

Chlorine binding site 8 out of 10 in 4ap0

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Chlorine binding site 8 out of 10 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2001

b:37.2
occ:1.00
 CLD C:G7X2001 0.0 37.2 1.0
CAE C:G7X2001 1.7 35.1 1.0
CAP C:G7X2001 2.7 56.7 1.0
CAF C:G7X2001 2.7 30.6 1.0
CD2 C:LEU160 3.2 35.6 1.0
C C:GLY217 3.9 43.0 1.0
O C:GLY217 4.0 54.9 1.0
CAQ C:G7X2001 4.0 44.4 1.0
CAG C:G7X2001 4.0 19.0 1.0
NE C:ARG221 4.1 66.2 1.0
N C:ALA218 4.1 16.7 1.0
CD C:ARG221 4.2 51.9 1.0
CZ C:ARG221 4.2 60.0 1.0
CA C:GLY217 4.3 37.3 1.0
NH1 C:ARG221 4.4 72.3 1.0
O C:LEU214 4.4 76.0 1.0
CAR C:G7X2001 4.5 20.0 1.0
CA C:ALA218 4.5 46.6 1.0
CG C:LEU160 4.7 53.3 1.0
NH2 C:ARG221 4.8 37.4 1.0
CB C:LEU171 4.9 15.9 1.0
CB C:ARG221 4.9 31.2 1.0

Chlorine binding site 9 out of 10 in 4ap0

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Chlorine binding site 9 out of 10 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1365

b:51.6
occ:1.00
 CD D:LYS77 3.6 60.0 1.0
CZ D:PHE113 3.9 15.1 1.0
O D:THR76 3.9 51.2 1.0
CA D:LYS77 4.0 24.8 1.0
CE2 D:PHE113 4.1 15.1 1.0
CG A:LYS34 4.2 26.4 1.0
N D:GLN78 4.3 30.1 1.0
CD2 D:LEU132 4.4 15.1 1.0
CA A:LYS34 4.4 48.3 1.0
NH2 D:ARG24 4.5 37.5 1.0
CE D:LYS77 4.5 73.6 1.0
CB D:LYS77 4.6 27.8 1.0
N1 D:ADP1003 4.6 34.9 1.0
CB A:LYS34 4.6 32.4 1.0
C D:LYS77 4.7 19.4 1.0
CG D:GLN78 4.7 15.1 1.0
CG D:LYS77 4.7 36.8 1.0
C D:THR76 4.8 49.5 1.0
N D:LYS77 4.9 30.7 1.0
N6 D:ADP1003 5.0 29.1 1.0
O A:ARG33 5.0 52.0 1.0

Chlorine binding site 10 out of 10 in 4ap0

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Chlorine binding site 10 out of 10 in the The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Mitotic Kinesin EG5 in Complex with Mg-Adp and Ispinesib within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl2001

b:50.7
occ:1.00
 CLD D:G7X2001 0.0 50.7 1.0
CAE D:G7X2001 1.7 52.0 1.0
CAF D:G7X2001 2.7 51.1 1.0
CAP D:G7X2001 2.7 42.0 1.0
CD2 D:LEU160 2.9 55.4 1.0
NH2 D:ARG221 3.3 51.5 1.0
CZ D:ARG221 3.5 43.5 1.0
NE D:ARG221 3.8 40.2 1.0
N D:ALA218 3.9 51.6 1.0
C D:GLY217 4.0 52.6 1.0
CAG D:G7X2001 4.0 52.3 1.0
CAQ D:G7X2001 4.0 33.8 1.0
CA D:ALA218 4.1 48.9 1.0
CG D:LEU160 4.2 50.6 1.0
NH1 D:ARG221 4.2 26.5 1.0
O D:GLY217 4.4 62.2 1.0
CA D:GLY217 4.4 20.3 1.0
OE2 D:GLU162 4.5 76.8 1.0
CD2 D:LEU171 4.5 33.8 1.0
CAR D:G7X2001 4.5 43.4 1.0
CD2 D:LEU214 4.6 17.2 1.0
CB D:ALA218 4.6 23.2 1.0
CD D:ARG221 4.8 38.9 1.0
O D:LEU214 4.8 31.6 1.0
CB D:LEU171 4.8 54.7 1.0
CB D:ARG221 4.9 30.1 1.0
CD1 D:LEU160 5.0 50.2 1.0

Reference:

S.K.Talapatra, A.W.Schuettelkopf, F.Kozielski. The Structure of the Ternary EG5-Adp-Ispinesib Complex Acta Crystallogr.,Sect.D V. 68 1311 2012.
ISSN: ISSN 0907-4449
PubMed: 22993085
DOI: 10.1107/S0907444912027965
Page generated: Sun Jul 21 09:17:37 2024

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