Chlorine in PDB 8bu1: Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K
Enzymatic activity of Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K
All present enzymatic activity of Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K:
2.7.11.22;
2.7.11.23;
Protein crystallography data
The structure of Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K, PDB code: 8bu1
was solved by
Z.Kozicka,
G.Kempf,
G.Petzold,
N.H.Thoma,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
60.12 /
2.98
|
|
Space group
|
P 31 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
249.447,
249.447,
218.45,
90,
90,
120
|
|
R / Rfree (%)
|
19.3 /
21.8
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K
(pdb code 8bu1). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K, PDB code: 8bu1:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 8bu1
Go back to
Chlorine Binding Sites List in 8bu1
Chlorine binding site 1 out
of 6 in the Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1101
b:88.1
occ:1.00
|
CL1
|
B:RQL1101
|
0.0
|
88.1
|
1.0
|
|
C1
|
B:RQL1101
|
1.7
|
86.5
|
1.0
|
|
C4
|
B:RQL1101
|
2.7
|
83.8
|
1.0
|
|
C2
|
B:RQL1101
|
2.7
|
88.6
|
1.0
|
|
H2
|
B:RQL1101
|
2.8
|
101.0
|
0.0
|
|
CL2
|
B:RQL1101
|
3.1
|
105.0
|
1.0
|
|
HA
|
A:ASN908
|
3.3
|
99.9
|
0.0
|
|
HG3
|
A:ARG928
|
3.3
|
105.0
|
0.0
|
|
O
|
A:ASN907
|
3.3
|
83.6
|
1.0
|
|
HG12
|
A:ILE909
|
3.7
|
92.4
|
0.0
|
|
C
|
A:ASN907
|
3.7
|
83.9
|
1.0
|
|
HD21
|
A:ASN907
|
3.8
|
101.5
|
0.0
|
|
OD1
|
A:ASN907
|
3.8
|
84.0
|
1.0
|
|
ND2
|
A:ASN907
|
3.8
|
84.2
|
1.0
|
|
CG
|
A:ASN907
|
3.9
|
83.7
|
1.0
|
|
CA
|
A:ASN908
|
4.0
|
82.9
|
1.0
|
|
C5
|
B:RQL1101
|
4.0
|
84.6
|
1.0
|
|
HH21
|
A:ARG947
|
4.0
|
96.1
|
0.0
|
|
HG22
|
B:ILE733
|
4.0
|
99.2
|
0.0
|
|
C3
|
B:RQL1101
|
4.0
|
92.7
|
1.0
|
|
N
|
A:ASN908
|
4.0
|
84.5
|
1.0
|
|
NH2
|
A:ARG947
|
4.0
|
79.7
|
1.0
|
|
CZ
|
A:ARG947
|
4.2
|
82.2
|
1.0
|
|
HE
|
A:ARG947
|
4.2
|
106.7
|
0.0
|
|
CG
|
A:ARG928
|
4.2
|
87.2
|
1.0
|
|
NE
|
A:ARG947
|
4.2
|
88.5
|
1.0
|
|
HD22
|
A:ASN907
|
4.3
|
101.5
|
0.0
|
|
HD11
|
A:ILE909
|
4.3
|
101.2
|
0.0
|
|
H
|
A:ILE909
|
4.3
|
89.9
|
0.0
|
|
C
|
A:ASN908
|
4.3
|
79.0
|
1.0
|
|
HH22
|
A:ARG947
|
4.3
|
96.1
|
0.0
|
|
HA
|
B:ILE733
|
4.4
|
103.6
|
0.0
|
|
HA
|
A:ASN907
|
4.5
|
98.6
|
0.0
|
|
C6
|
B:RQL1101
|
4.5
|
88.1
|
1.0
|
|
HB3
|
A:ARG928
|
4.5
|
96.7
|
0.0
|
|
N
|
A:ILE909
|
4.5
|
74.6
|
1.0
|
|
CA
|
A:ASN907
|
4.5
|
81.8
|
1.0
|
|
CG1
|
A:ILE909
|
4.6
|
76.6
|
1.0
|
|
HD3
|
A:ARG947
|
4.6
|
104.6
|
0.0
|
|
HB2
|
A:ARG928
|
4.6
|
96.7
|
0.0
|
|
H
|
A:ASN908
|
4.7
|
101.9
|
0.0
|
|
CB
|
A:ASN907
|
4.7
|
80.9
|
1.0
|
|
HG2
|
A:ARG928
|
4.7
|
105.0
|
0.0
|
|
CB
|
A:ARG928
|
4.7
|
80.2
|
1.0
|
|
H1
|
B:RQL1101
|
4.8
|
111.7
|
0.0
|
|
NH1
|
A:ARG947
|
4.8
|
77.4
|
1.0
|
|
HD2
|
A:ARG928
|
4.8
|
100.0
|
0.0
|
|
HB3
|
A:ASN907
|
4.8
|
97.5
|
0.0
|
|
CD1
|
A:ILE909
|
4.9
|
84.0
|
1.0
|
|
HG13
|
A:ILE909
|
4.9
|
92.4
|
0.0
|
|
O
|
A:ASN908
|
4.9
|
85.0
|
1.0
|
|
CG2
|
B:ILE733
|
4.9
|
82.3
|
1.0
|
|
HE
|
A:ARG928
|
4.9
|
109.6
|
0.0
|
|
CD
|
A:ARG947
|
4.9
|
86.8
|
1.0
|
|
CD
|
A:ARG928
|
5.0
|
83.0
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 8bu1
Go back to
Chlorine Binding Sites List in 8bu1
Chlorine binding site 2 out
of 6 in the Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1101
b:105.0
occ:1.00
|
CL2
|
B:RQL1101
|
0.0
|
105.0
|
1.0
|
|
C2
|
B:RQL1101
|
1.7
|
88.6
|
1.0
|
|
HD3
|
A:ARG947
|
2.6
|
104.6
|
0.0
|
|
C3
|
B:RQL1101
|
2.7
|
92.7
|
1.0
|
|
C1
|
B:RQL1101
|
2.7
|
86.5
|
1.0
|
|
H1
|
B:RQL1101
|
2.8
|
111.7
|
0.0
|
|
HD2
|
A:ARG928
|
3.1
|
100.0
|
0.0
|
|
CL1
|
B:RQL1101
|
3.1
|
88.1
|
1.0
|
|
HB3
|
A:ARG928
|
3.3
|
96.7
|
0.0
|
|
HG3
|
A:ARG928
|
3.3
|
105.0
|
0.0
|
|
CD
|
A:ARG947
|
3.4
|
86.8
|
1.0
|
|
HA
|
B:ILE733
|
3.6
|
103.6
|
0.0
|
|
HD2
|
A:ARG947
|
3.6
|
104.6
|
0.0
|
|
NE
|
A:ARG947
|
3.7
|
88.5
|
1.0
|
|
O
|
B:ILE733
|
3.8
|
93.5
|
1.0
|
|
CD
|
A:ARG928
|
3.8
|
83.0
|
1.0
|
|
CG
|
A:ARG928
|
3.8
|
87.2
|
1.0
|
|
HH11
|
A:ARG947
|
3.9
|
93.3
|
0.0
|
|
C6
|
B:RQL1101
|
4.0
|
88.1
|
1.0
|
|
CB
|
A:ARG928
|
4.0
|
80.2
|
1.0
|
|
C4
|
B:RQL1101
|
4.0
|
83.8
|
1.0
|
|
CZ
|
A:ARG947
|
4.1
|
82.2
|
1.0
|
|
HE
|
A:ARG947
|
4.1
|
106.7
|
0.0
|
|
NH1
|
A:ARG947
|
4.1
|
77.4
|
1.0
|
|
HD1
|
A:PHE949
|
4.2
|
104.2
|
0.0
|
|
O
|
B:ILE732
|
4.4
|
89.2
|
1.0
|
|
CA
|
B:ILE733
|
4.4
|
86.0
|
1.0
|
|
C
|
B:ILE733
|
4.4
|
88.1
|
1.0
|
|
HE1
|
A:PHE949
|
4.4
|
106.9
|
0.0
|
|
HB2
|
A:ARG928
|
4.5
|
96.7
|
0.0
|
|
HD21
|
A:ASN907
|
4.5
|
101.5
|
0.0
|
|
C5
|
B:RQL1101
|
4.5
|
84.6
|
1.0
|
|
NE
|
A:ARG928
|
4.5
|
91.0
|
1.0
|
|
HD3
|
A:ARG928
|
4.6
|
100.0
|
0.0
|
|
HG2
|
A:ARG947
|
4.6
|
100.5
|
0.0
|
|
HG22
|
B:ILE733
|
4.6
|
99.2
|
0.0
|
|
HH12
|
A:ARG947
|
4.7
|
93.3
|
0.0
|
|
CG
|
A:ARG947
|
4.7
|
83.4
|
1.0
|
|
H2
|
B:RQL1101
|
4.7
|
101.0
|
0.0
|
|
HE
|
A:ARG928
|
4.7
|
109.6
|
0.0
|
|
HG2
|
A:ARG928
|
4.8
|
105.0
|
0.0
|
|
CD1
|
A:PHE949
|
4.8
|
86.5
|
1.0
|
|
NH2
|
A:ARG947
|
4.9
|
79.7
|
1.0
|
|
HB
|
B:ILE733
|
4.9
|
99.5
|
0.0
|
|
CE1
|
A:PHE949
|
5.0
|
88.8
|
1.0
|
|
ND2
|
A:ASN907
|
5.0
|
84.2
|
1.0
|
|
HH11
|
A:ARG928
|
5.0
|
112.1
|
0.0
|
|
Chlorine binding site 3 out
of 6 in 8bu1
Go back to
Chlorine Binding Sites List in 8bu1
Chlorine binding site 3 out
of 6 in the Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl1101
b:90.9
occ:1.00
|
CL1
|
E:RQL1101
|
0.0
|
90.9
|
1.0
|
|
C1
|
E:RQL1101
|
1.7
|
87.6
|
1.0
|
|
C4
|
E:RQL1101
|
2.7
|
88.4
|
1.0
|
|
C2
|
E:RQL1101
|
2.7
|
90.1
|
1.0
|
|
H2
|
E:RQL1101
|
2.8
|
106.5
|
0.0
|
|
CL2
|
E:RQL1101
|
3.1
|
79.5
|
1.0
|
|
HG3
|
D:ARG928
|
3.2
|
93.2
|
0.0
|
|
HA
|
D:ASN908
|
3.4
|
97.5
|
0.0
|
|
O
|
D:ASN907
|
3.5
|
100.5
|
1.0
|
|
HG12
|
D:ILE909
|
3.6
|
93.6
|
0.0
|
|
OD1
|
D:ASN907
|
3.6
|
91.3
|
1.0
|
|
HG22
|
E:ILE733
|
3.7
|
105.2
|
0.0
|
|
HD21
|
D:ASN907
|
3.8
|
121.1
|
0.0
|
|
C
|
D:ASN907
|
3.8
|
91.9
|
1.0
|
|
CG
|
D:ASN907
|
3.8
|
90.4
|
1.0
|
|
HH21
|
D:ARG947
|
3.9
|
106.2
|
0.0
|
|
ND2
|
D:ASN907
|
3.9
|
100.5
|
1.0
|
|
HD11
|
D:ILE909
|
4.0
|
102.6
|
0.0
|
|
C5
|
E:RQL1101
|
4.0
|
89.2
|
1.0
|
|
C3
|
E:RQL1101
|
4.0
|
88.8
|
1.0
|
|
CA
|
D:ASN908
|
4.1
|
80.9
|
1.0
|
|
N
|
D:ASN908
|
4.1
|
86.4
|
1.0
|
|
NH2
|
D:ARG947
|
4.1
|
88.2
|
1.0
|
|
CG
|
D:ARG928
|
4.1
|
77.3
|
1.0
|
|
C
|
D:ASN908
|
4.3
|
79.7
|
1.0
|
|
HE
|
D:ARG947
|
4.3
|
99.8
|
0.0
|
|
H
|
D:ILE909
|
4.4
|
90.3
|
0.0
|
|
HH22
|
D:ARG947
|
4.4
|
106.2
|
0.0
|
|
CZ
|
D:ARG947
|
4.4
|
83.7
|
1.0
|
|
CG1
|
D:ILE909
|
4.4
|
77.7
|
1.0
|
|
HD22
|
D:ASN907
|
4.4
|
121.1
|
0.0
|
|
HA
|
D:ASN907
|
4.5
|
105.1
|
0.0
|
|
NE
|
D:ARG947
|
4.5
|
82.8
|
1.0
|
|
C6
|
E:RQL1101
|
4.5
|
87.9
|
1.0
|
|
N
|
D:ILE909
|
4.5
|
74.9
|
1.0
|
|
HG2
|
D:ARG928
|
4.6
|
93.2
|
0.0
|
|
CA
|
D:ASN907
|
4.6
|
87.3
|
1.0
|
|
CD1
|
D:ILE909
|
4.6
|
85.2
|
1.0
|
|
HB3
|
D:ARG928
|
4.6
|
97.4
|
0.0
|
|
HA
|
E:ILE733
|
4.6
|
97.8
|
0.0
|
|
H
|
D:ASN908
|
4.6
|
104.1
|
0.0
|
|
HE
|
D:ARG928
|
4.6
|
106.6
|
0.0
|
|
HB2
|
D:ARG928
|
4.7
|
97.4
|
0.0
|
|
CG2
|
E:ILE733
|
4.7
|
87.3
|
1.0
|
|
CB
|
D:ASN907
|
4.7
|
86.8
|
1.0
|
|
HD2
|
D:ARG928
|
4.7
|
90.2
|
0.0
|
|
H1
|
E:RQL1101
|
4.8
|
107.0
|
0.0
|
|
CB
|
D:ARG928
|
4.8
|
80.8
|
1.0
|
|
O
|
D:ASN908
|
4.8
|
83.6
|
1.0
|
|
HG13
|
D:ILE909
|
4.8
|
93.6
|
0.0
|
|
HD13
|
D:ILE909
|
4.8
|
102.6
|
0.0
|
|
CD
|
D:ARG928
|
4.9
|
74.8
|
1.0
|
|
HB3
|
D:ASN907
|
4.9
|
104.5
|
0.0
|
|
HG21
|
E:ILE733
|
5.0
|
105.2
|
0.0
|
|
Chlorine binding site 4 out
of 6 in 8bu1
Go back to
Chlorine Binding Sites List in 8bu1
Chlorine binding site 4 out
of 6 in the Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl1101
b:79.5
occ:1.00
|
CL2
|
E:RQL1101
|
0.0
|
79.5
|
1.0
|
|
C2
|
E:RQL1101
|
1.7
|
90.1
|
1.0
|
|
C3
|
E:RQL1101
|
2.7
|
88.8
|
1.0
|
|
C1
|
E:RQL1101
|
2.7
|
87.6
|
1.0
|
|
H1
|
E:RQL1101
|
2.8
|
107.0
|
0.0
|
|
HD3
|
D:ARG947
|
3.0
|
92.5
|
0.0
|
|
HD2
|
D:ARG928
|
3.0
|
90.2
|
0.0
|
|
CL1
|
E:RQL1101
|
3.1
|
90.9
|
1.0
|
|
HG3
|
D:ARG928
|
3.2
|
93.2
|
0.0
|
|
HA
|
E:ILE733
|
3.3
|
97.8
|
0.0
|
|
HD2
|
D:ARG947
|
3.4
|
92.5
|
0.0
|
|
HB3
|
D:ARG928
|
3.5
|
97.4
|
0.0
|
|
CD
|
D:ARG947
|
3.5
|
76.8
|
1.0
|
|
NE
|
D:ARG947
|
3.6
|
82.8
|
1.0
|
|
CD
|
D:ARG928
|
3.8
|
74.8
|
1.0
|
|
CG
|
D:ARG928
|
3.8
|
77.3
|
1.0
|
|
O
|
E:ILE733
|
3.8
|
85.7
|
1.0
|
|
HE
|
D:ARG947
|
3.8
|
99.8
|
0.0
|
|
C6
|
E:RQL1101
|
4.0
|
87.9
|
1.0
|
|
C4
|
E:RQL1101
|
4.0
|
88.4
|
1.0
|
|
HG22
|
E:ILE733
|
4.1
|
105.2
|
0.0
|
|
CB
|
D:ARG928
|
4.1
|
80.8
|
1.0
|
|
CZ
|
D:ARG947
|
4.1
|
83.7
|
1.0
|
|
CA
|
E:ILE733
|
4.2
|
81.1
|
1.0
|
|
HD21
|
D:ASN907
|
4.3
|
121.1
|
0.0
|
|
NE
|
D:ARG928
|
4.3
|
88.5
|
1.0
|
|
C
|
E:ILE733
|
4.4
|
83.4
|
1.0
|
|
O
|
E:ILE732
|
4.4
|
89.2
|
1.0
|
|
HD1
|
D:PHE949
|
4.4
|
101.6
|
0.0
|
|
HH11
|
D:ARG947
|
4.4
|
93.9
|
0.0
|
|
C5
|
E:RQL1101
|
4.5
|
89.2
|
1.0
|
|
NH1
|
D:ARG947
|
4.5
|
77.9
|
1.0
|
|
HB
|
E:ILE733
|
4.5
|
98.6
|
0.0
|
|
HE
|
D:ARG928
|
4.5
|
106.6
|
0.0
|
|
HB2
|
D:ARG928
|
4.6
|
97.4
|
0.0
|
|
HD3
|
D:ARG928
|
4.6
|
90.2
|
0.0
|
|
HE1
|
D:PHE949
|
4.6
|
104.7
|
0.0
|
|
HG2
|
D:ARG928
|
4.7
|
93.2
|
0.0
|
|
H2
|
E:RQL1101
|
4.7
|
106.5
|
0.0
|
|
NH2
|
D:ARG947
|
4.8
|
88.2
|
1.0
|
|
CB
|
E:ILE733
|
4.8
|
81.8
|
1.0
|
|
ND2
|
D:ASN907
|
4.8
|
100.5
|
1.0
|
|
HH21
|
D:ARG947
|
4.9
|
106.2
|
0.0
|
|
CG2
|
E:ILE733
|
4.9
|
87.3
|
1.0
|
|
CG
|
D:ARG947
|
4.9
|
77.7
|
1.0
|
|
HH11
|
D:ARG928
|
4.9
|
102.8
|
0.0
|
|
Chlorine binding site 5 out
of 6 in 8bu1
Go back to
Chlorine Binding Sites List in 8bu1
Chlorine binding site 5 out
of 6 in the Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl1101
b:83.7
occ:1.00
|
CL1
|
H:RQL1101
|
0.0
|
83.7
|
1.0
|
|
C1
|
H:RQL1101
|
1.7
|
89.0
|
1.0
|
|
C4
|
H:RQL1101
|
2.7
|
84.0
|
1.0
|
|
C2
|
H:RQL1101
|
2.7
|
85.8
|
1.0
|
|
H2
|
H:RQL1101
|
2.8
|
101.2
|
0.0
|
|
CL2
|
H:RQL1101
|
3.1
|
79.5
|
1.0
|
|
HA
|
G:ASN908
|
3.3
|
88.8
|
0.0
|
|
O
|
G:ASN907
|
3.3
|
80.9
|
1.0
|
|
HG3
|
G:ARG928
|
3.4
|
97.1
|
0.0
|
|
OD1
|
G:ASN907
|
3.6
|
81.0
|
1.0
|
|
C
|
G:ASN907
|
3.7
|
75.6
|
1.0
|
|
HG12
|
G:ILE909
|
3.7
|
80.4
|
0.0
|
|
HD21
|
G:ASN907
|
3.7
|
106.0
|
0.0
|
|
HG22
|
H:ILE733
|
3.7
|
91.9
|
0.0
|
|
CG
|
G:ASN907
|
3.8
|
81.5
|
1.0
|
|
ND2
|
G:ASN907
|
3.8
|
88.0
|
1.0
|
|
CA
|
G:ASN908
|
3.9
|
73.7
|
1.0
|
|
HH21
|
G:ARG947
|
4.0
|
93.5
|
0.0
|
|
N
|
G:ASN908
|
4.0
|
75.8
|
1.0
|
|
C5
|
H:RQL1101
|
4.0
|
76.4
|
1.0
|
|
NH2
|
G:ARG947
|
4.0
|
77.5
|
1.0
|
|
C3
|
H:RQL1101
|
4.0
|
83.4
|
1.0
|
|
HD11
|
G:ILE909
|
4.2
|
94.6
|
0.0
|
|
CZ
|
G:ARG947
|
4.2
|
81.6
|
1.0
|
|
HH22
|
G:ARG947
|
4.2
|
93.5
|
0.0
|
|
C
|
G:ASN908
|
4.2
|
71.8
|
1.0
|
|
HD22
|
G:ASN907
|
4.3
|
106.0
|
0.0
|
|
CG
|
G:ARG928
|
4.3
|
80.6
|
1.0
|
|
HA
|
G:ASN907
|
4.3
|
90.3
|
0.0
|
|
H
|
G:ILE909
|
4.3
|
82.0
|
0.0
|
|
HA
|
H:ILE733
|
4.4
|
89.8
|
0.0
|
|
HE
|
G:ARG947
|
4.4
|
97.1
|
0.0
|
|
NE
|
G:ARG947
|
4.4
|
80.6
|
1.0
|
|
CA
|
G:ASN907
|
4.5
|
75.0
|
1.0
|
|
C6
|
H:RQL1101
|
4.5
|
79.6
|
1.0
|
|
N
|
G:ILE909
|
4.5
|
68.9
|
1.0
|
|
CG1
|
G:ILE909
|
4.5
|
68.7
|
1.0
|
|
H
|
G:ASN908
|
4.5
|
91.4
|
0.0
|
|
HB3
|
G:ARG928
|
4.6
|
91.3
|
0.0
|
|
CB
|
G:ASN907
|
4.6
|
75.6
|
1.0
|
|
CG2
|
H:ILE733
|
4.7
|
76.3
|
1.0
|
|
HB2
|
G:ARG928
|
4.7
|
91.3
|
0.0
|
|
CD1
|
G:ILE909
|
4.7
|
78.5
|
1.0
|
|
H1
|
H:RQL1101
|
4.8
|
100.5
|
0.0
|
|
O
|
G:ASN908
|
4.8
|
82.8
|
1.0
|
|
HG2
|
G:ARG928
|
4.8
|
97.1
|
0.0
|
|
HB3
|
G:ASN907
|
4.8
|
91.1
|
0.0
|
|
NH1
|
G:ARG947
|
4.8
|
80.5
|
1.0
|
|
CB
|
G:ARG928
|
4.8
|
75.7
|
1.0
|
|
HD13
|
G:ILE909
|
4.9
|
94.6
|
0.0
|
|
HD2
|
G:ARG928
|
4.9
|
92.7
|
0.0
|
|
HG13
|
G:ILE909
|
4.9
|
80.4
|
0.0
|
|
HD3
|
G:ARG947
|
4.9
|
95.2
|
0.0
|
|
HE
|
G:ARG928
|
5.0
|
104.6
|
0.0
|
|
HG23
|
H:ILE733
|
5.0
|
91.9
|
0.0
|
|
Chlorine binding site 6 out
of 6 in 8bu1
Go back to
Chlorine Binding Sites List in 8bu1
Chlorine binding site 6 out
of 6 in the Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl1101
b:79.5
occ:1.00
|
CL2
|
H:RQL1101
|
0.0
|
79.5
|
1.0
|
|
C2
|
H:RQL1101
|
1.7
|
85.8
|
1.0
|
|
C3
|
H:RQL1101
|
2.7
|
83.4
|
1.0
|
|
HD3
|
G:ARG947
|
2.7
|
95.2
|
0.0
|
|
C1
|
H:RQL1101
|
2.7
|
89.0
|
1.0
|
|
H1
|
H:RQL1101
|
2.8
|
100.5
|
0.0
|
|
CL1
|
H:RQL1101
|
3.1
|
83.7
|
1.0
|
|
HD2
|
G:ARG928
|
3.1
|
92.7
|
0.0
|
|
HG3
|
G:ARG928
|
3.3
|
97.1
|
0.0
|
|
HB3
|
G:ARG928
|
3.3
|
91.3
|
0.0
|
|
HA
|
H:ILE733
|
3.4
|
89.8
|
0.0
|
|
CD
|
G:ARG947
|
3.5
|
79.0
|
1.0
|
|
NE
|
G:ARG947
|
3.6
|
80.6
|
1.0
|
|
HD2
|
G:ARG947
|
3.7
|
95.2
|
0.0
|
|
O
|
H:ILE733
|
3.8
|
80.6
|
1.0
|
|
HH11
|
G:ARG947
|
3.8
|
97.0
|
0.0
|
|
CG
|
G:ARG928
|
3.8
|
80.6
|
1.0
|
|
CZ
|
G:ARG947
|
3.8
|
81.6
|
1.0
|
|
CD
|
G:ARG928
|
3.9
|
76.9
|
1.0
|
|
NH1
|
G:ARG947
|
3.9
|
80.5
|
1.0
|
|
C6
|
H:RQL1101
|
4.0
|
79.6
|
1.0
|
|
CB
|
G:ARG928
|
4.0
|
75.7
|
1.0
|
|
C4
|
H:RQL1101
|
4.0
|
84.0
|
1.0
|
|
HE
|
G:ARG947
|
4.0
|
97.1
|
0.0
|
|
CA
|
H:ILE733
|
4.3
|
74.5
|
1.0
|
|
HD21
|
G:ASN907
|
4.3
|
106.0
|
0.0
|
|
O
|
H:ILE732
|
4.3
|
81.0
|
1.0
|
|
HG22
|
H:ILE733
|
4.4
|
91.9
|
0.0
|
|
C
|
H:ILE733
|
4.4
|
76.8
|
1.0
|
|
HH12
|
G:ARG947
|
4.4
|
97.0
|
0.0
|
|
HB2
|
G:ARG928
|
4.4
|
91.3
|
0.0
|
|
HD1
|
G:PHE949
|
4.5
|
91.2
|
0.0
|
|
C5
|
H:RQL1101
|
4.5
|
76.4
|
1.0
|
|
NE
|
G:ARG928
|
4.5
|
86.8
|
1.0
|
|
NH2
|
G:ARG947
|
4.6
|
77.5
|
1.0
|
|
HD3
|
G:ARG928
|
4.6
|
92.7
|
0.0
|
|
HE1
|
G:PHE949
|
4.6
|
94.3
|
0.0
|
|
HG2
|
G:ARG947
|
4.7
|
93.5
|
0.0
|
|
HG2
|
G:ARG928
|
4.7
|
97.1
|
0.0
|
|
H2
|
H:RQL1101
|
4.7
|
101.2
|
0.0
|
|
HE
|
G:ARG928
|
4.7
|
104.6
|
0.0
|
|
CG
|
G:ARG947
|
4.8
|
77.6
|
1.0
|
|
HB
|
H:ILE733
|
4.8
|
90.7
|
0.0
|
|
ND2
|
G:ASN907
|
4.8
|
88.0
|
1.0
|
|
HH21
|
G:ARG947
|
4.9
|
93.5
|
0.0
|
|
CB
|
H:ILE733
|
5.0
|
75.2
|
1.0
|
|
Reference:
Z.Kozicka,
G.Kempf,
G.Petzold,
N.H.Thoma.
Structure of DDB1 Bound to DS17-Engaged CDK12-Cyclin K To Be Published.
Page generated: Tue Jul 30 07:26:05 2024
|
