Chlorine in PDB 8bu2: Structure of DDB1 Bound to DS18-Engaged CDK12-Cyclin K
Enzymatic activity of Structure of DDB1 Bound to DS18-Engaged CDK12-Cyclin K
All present enzymatic activity of Structure of DDB1 Bound to DS18-Engaged CDK12-Cyclin K:
2.7.11.22;
2.7.11.23;
Protein crystallography data
The structure of Structure of DDB1 Bound to DS18-Engaged CDK12-Cyclin K, PDB code: 8bu2
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)
|
60.43 /
3.13
|
|
Space group
|
P 31 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
249.896,
249.896,
218.57,
90,
90,
120
|
|
R / Rfree (%)
|
19.2 /
21.7
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of DDB1 Bound to DS18-Engaged CDK12-Cyclin K
(pdb code 8bu2). 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 DS18-Engaged CDK12-Cyclin K, PDB code: 8bu2:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 8bu2
Go back to
Chlorine Binding Sites List in 8bu2
Chlorine binding site 1 out
of 6 in the Structure of DDB1 Bound to DS18-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 DS18-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1101
b:94.9
occ:1.00
|
CL1
|
B:RVQ1101
|
0.0
|
94.9
|
1.0
|
|
C11
|
B:RVQ1101
|
1.8
|
93.2
|
1.0
|
|
HD3
|
A:ARG947
|
2.6
|
116.0
|
0.0
|
|
C12
|
B:RVQ1101
|
2.7
|
93.4
|
1.0
|
|
C10
|
B:RVQ1101
|
2.8
|
93.7
|
1.0
|
|
HD2
|
A:ARG928
|
2.9
|
115.8
|
0.0
|
|
H6
|
B:RVQ1101
|
3.0
|
112.4
|
0.0
|
|
CL2
|
B:RVQ1101
|
3.0
|
93.0
|
1.0
|
|
HG3
|
A:ARG928
|
3.1
|
114.8
|
0.0
|
|
HB3
|
A:ARG928
|
3.2
|
115.4
|
0.0
|
|
HA
|
B:ILE733
|
3.4
|
118.4
|
0.0
|
|
CD
|
A:ARG947
|
3.4
|
96.7
|
1.0
|
|
HD2
|
A:ARG947
|
3.6
|
116.0
|
0.0
|
|
CD
|
A:ARG928
|
3.6
|
96.5
|
1.0
|
|
CG
|
A:ARG928
|
3.6
|
95.7
|
1.0
|
|
NE
|
A:ARG947
|
3.7
|
94.9
|
1.0
|
|
HH11
|
A:ARG947
|
3.8
|
111.8
|
0.0
|
|
CB
|
A:ARG928
|
3.9
|
96.2
|
1.0
|
|
CZ
|
A:ARG947
|
4.0
|
93.3
|
1.0
|
|
NH1
|
A:ARG947
|
4.0
|
93.2
|
1.0
|
|
C13
|
B:RVQ1101
|
4.0
|
91.9
|
1.0
|
|
C8
|
B:RVQ1101
|
4.0
|
93.8
|
1.0
|
|
HE
|
A:ARG947
|
4.2
|
113.9
|
0.0
|
|
O
|
B:ILE733
|
4.2
|
98.4
|
1.0
|
|
CA
|
B:ILE733
|
4.3
|
98.7
|
1.0
|
|
NE
|
A:ARG928
|
4.3
|
97.8
|
1.0
|
|
HB2
|
A:ARG928
|
4.3
|
115.4
|
0.0
|
|
HG22
|
B:ILE733
|
4.3
|
112.6
|
0.0
|
|
HB
|
B:ILE733
|
4.3
|
114.3
|
0.0
|
|
HD21
|
A:ASN907
|
4.4
|
112.6
|
0.0
|
|
O
|
B:ILE732
|
4.4
|
110.6
|
1.0
|
|
HD2
|
A:PHE949
|
4.4
|
126.4
|
0.0
|
|
HD3
|
A:ARG928
|
4.4
|
115.8
|
0.0
|
|
HH12
|
A:ARG947
|
4.5
|
111.8
|
0.0
|
|
HE
|
A:ARG928
|
4.5
|
117.4
|
0.0
|
|
HG2
|
A:ARG928
|
4.6
|
114.8
|
0.0
|
|
C9
|
B:RVQ1101
|
4.6
|
92.6
|
1.0
|
|
C
|
B:ILE733
|
4.6
|
99.7
|
1.0
|
|
HE2
|
A:PHE949
|
4.6
|
127.8
|
0.0
|
|
HG2
|
A:ARG947
|
4.7
|
115.2
|
0.0
|
|
CG
|
A:ARG947
|
4.7
|
96.0
|
1.0
|
|
CB
|
B:ILE733
|
4.7
|
95.3
|
1.0
|
|
NH2
|
A:ARG947
|
4.7
|
91.4
|
1.0
|
|
HH11
|
A:ARG928
|
4.8
|
118.5
|
0.0
|
|
H7
|
B:RVQ1101
|
4.9
|
110.3
|
0.0
|
|
ND2
|
A:ASN907
|
5.0
|
93.8
|
1.0
|
|
CZ
|
A:ARG928
|
5.0
|
97.1
|
1.0
|
|
CG2
|
B:ILE733
|
5.0
|
93.8
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 8bu2
Go back to
Chlorine Binding Sites List in 8bu2
Chlorine binding site 2 out
of 6 in the Structure of DDB1 Bound to DS18-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 DS18-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1101
b:93.0
occ:1.00
|
CL2
|
B:RVQ1101
|
0.0
|
93.0
|
1.0
|
|
C12
|
B:RVQ1101
|
1.8
|
93.4
|
1.0
|
|
C11
|
B:RVQ1101
|
2.7
|
93.2
|
1.0
|
|
C13
|
B:RVQ1101
|
2.8
|
91.9
|
1.0
|
|
H7
|
B:RVQ1101
|
3.0
|
110.3
|
0.0
|
|
CL1
|
B:RVQ1101
|
3.0
|
94.9
|
1.0
|
|
OD1
|
A:ASN907
|
3.3
|
91.3
|
1.0
|
|
HA
|
A:ASN908
|
3.4
|
106.2
|
0.0
|
|
HG3
|
A:ARG928
|
3.4
|
114.8
|
0.0
|
|
O
|
A:ASN907
|
3.5
|
88.9
|
1.0
|
|
CG
|
A:ASN907
|
3.7
|
91.4
|
1.0
|
|
HG12
|
A:ILE909
|
3.7
|
108.2
|
0.0
|
|
HD21
|
A:ASN907
|
3.7
|
112.6
|
0.0
|
|
HG22
|
B:ILE733
|
3.7
|
112.6
|
0.0
|
|
C
|
A:ASN907
|
3.7
|
88.7
|
1.0
|
|
ND2
|
A:ASN907
|
3.8
|
93.8
|
1.0
|
|
N
|
A:ASN908
|
4.0
|
88.7
|
1.0
|
|
CA
|
A:ASN908
|
4.0
|
88.5
|
1.0
|
|
C10
|
B:RVQ1101
|
4.0
|
93.7
|
1.0
|
|
NH2
|
A:ARG947
|
4.0
|
91.4
|
1.0
|
|
HH21
|
A:ARG947
|
4.1
|
109.7
|
0.0
|
|
C9
|
B:RVQ1101
|
4.1
|
92.6
|
1.0
|
|
HD11
|
A:ILE909
|
4.1
|
108.5
|
0.0
|
|
CZ
|
A:ARG947
|
4.2
|
93.3
|
1.0
|
|
HH22
|
A:ARG947
|
4.2
|
109.7
|
0.0
|
|
C
|
A:ASN908
|
4.3
|
88.5
|
1.0
|
|
CG
|
A:ARG928
|
4.4
|
95.7
|
1.0
|
|
NE
|
A:ARG947
|
4.4
|
94.9
|
1.0
|
|
HD22
|
A:ASN907
|
4.4
|
112.6
|
0.0
|
|
HA
|
A:ASN907
|
4.4
|
106.1
|
0.0
|
|
HE
|
A:ARG947
|
4.5
|
113.9
|
0.0
|
|
HD13
|
A:ILE909
|
4.5
|
108.5
|
0.0
|
|
CA
|
A:ASN907
|
4.5
|
88.4
|
1.0
|
|
CG1
|
A:ILE909
|
4.5
|
90.1
|
1.0
|
|
HA
|
B:ILE733
|
4.5
|
118.4
|
0.0
|
|
C8
|
B:RVQ1101
|
4.5
|
93.8
|
1.0
|
|
H
|
A:ASN908
|
4.6
|
106.5
|
0.0
|
|
H
|
A:ILE909
|
4.6
|
106.0
|
0.0
|
|
CD1
|
A:ILE909
|
4.6
|
90.4
|
1.0
|
|
HB3
|
A:ARG928
|
4.6
|
115.4
|
0.0
|
|
NH1
|
A:ARG947
|
4.6
|
93.2
|
1.0
|
|
CB
|
A:ASN907
|
4.6
|
89.7
|
1.0
|
|
N
|
A:ILE909
|
4.6
|
88.3
|
1.0
|
|
CG2
|
B:ILE733
|
4.6
|
93.8
|
1.0
|
|
HD3
|
A:ARG947
|
4.6
|
116.0
|
0.0
|
|
HB2
|
A:ARG928
|
4.6
|
115.4
|
0.0
|
|
O
|
A:ASN908
|
4.7
|
88.4
|
1.0
|
|
HH12
|
A:ARG947
|
4.8
|
111.8
|
0.0
|
|
HG21
|
B:ILE733
|
4.8
|
112.6
|
0.0
|
|
CB
|
A:ARG928
|
4.8
|
96.2
|
1.0
|
|
HB3
|
A:ASN907
|
4.8
|
107.6
|
0.0
|
|
H6
|
B:RVQ1101
|
4.9
|
112.4
|
0.0
|
|
HD2
|
A:ARG928
|
4.9
|
115.8
|
0.0
|
|
HG13
|
A:ILE909
|
4.9
|
108.2
|
0.0
|
|
HG2
|
A:ARG928
|
4.9
|
114.8
|
0.0
|
|
HH11
|
A:ARG947
|
5.0
|
111.8
|
0.0
|
|
Chlorine binding site 3 out
of 6 in 8bu2
Go back to
Chlorine Binding Sites List in 8bu2
Chlorine binding site 3 out
of 6 in the Structure of DDB1 Bound to DS18-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 DS18-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1201
b:92.4
occ:1.00
|
CL1
|
D:RVQ1201
|
0.0
|
92.4
|
1.0
|
|
C11
|
D:RVQ1201
|
1.8
|
91.2
|
1.0
|
|
HD3
|
D:ARG947
|
2.8
|
110.1
|
0.0
|
|
C10
|
D:RVQ1201
|
2.8
|
92.7
|
1.0
|
|
C12
|
D:RVQ1201
|
2.8
|
90.6
|
1.0
|
|
H6
|
D:RVQ1201
|
2.9
|
111.3
|
0.0
|
|
HD2
|
D:ARG928
|
3.0
|
106.6
|
0.0
|
|
HG3
|
D:ARG928
|
3.2
|
105.4
|
0.0
|
|
CL2
|
D:RVQ1201
|
3.2
|
92.0
|
1.0
|
|
HA
|
E:ILE733
|
3.3
|
114.4
|
0.0
|
|
CD
|
D:ARG947
|
3.4
|
91.7
|
1.0
|
|
HB3
|
D:ARG928
|
3.4
|
106.0
|
0.0
|
|
NE
|
D:ARG947
|
3.5
|
91.5
|
1.0
|
|
HD2
|
D:ARG947
|
3.5
|
110.1
|
0.0
|
|
CD
|
D:ARG928
|
3.7
|
88.8
|
1.0
|
|
CZ
|
D:ARG947
|
3.7
|
90.2
|
1.0
|
|
CG
|
D:ARG928
|
3.7
|
87.8
|
1.0
|
|
HE
|
D:ARG947
|
3.8
|
109.8
|
0.0
|
|
HH11
|
D:ARG947
|
3.9
|
106.1
|
0.0
|
|
NH1
|
D:ARG947
|
4.0
|
88.4
|
1.0
|
|
C8
|
D:RVQ1201
|
4.0
|
91.0
|
1.0
|
|
CB
|
D:ARG928
|
4.1
|
88.3
|
1.0
|
|
C13
|
D:RVQ1201
|
4.1
|
91.1
|
1.0
|
|
HG22
|
E:ILE733
|
4.1
|
110.8
|
0.0
|
|
NE
|
D:ARG928
|
4.2
|
90.4
|
1.0
|
|
O
|
E:ILE733
|
4.2
|
96.5
|
1.0
|
|
CA
|
E:ILE733
|
4.2
|
95.3
|
1.0
|
|
HD2
|
D:PHE949
|
4.3
|
118.0
|
0.0
|
|
O
|
E:ILE732
|
4.3
|
94.6
|
1.0
|
|
HD21
|
D:ASN907
|
4.3
|
109.3
|
0.0
|
|
HE
|
D:ARG928
|
4.4
|
108.5
|
0.0
|
|
NH2
|
D:ARG947
|
4.4
|
89.3
|
1.0
|
|
HB
|
E:ILE733
|
4.4
|
111.7
|
0.0
|
|
HB2
|
D:ARG928
|
4.5
|
106.0
|
0.0
|
|
HH12
|
D:ARG947
|
4.5
|
106.1
|
0.0
|
|
HE2
|
D:PHE949
|
4.5
|
120.6
|
0.0
|
|
HD3
|
D:ARG928
|
4.5
|
106.6
|
0.0
|
|
HH21
|
D:ARG947
|
4.6
|
107.2
|
0.0
|
|
C9
|
D:RVQ1201
|
4.6
|
91.1
|
1.0
|
|
C
|
E:ILE733
|
4.6
|
97.1
|
1.0
|
|
HG2
|
D:ARG928
|
4.6
|
105.4
|
0.0
|
|
CB
|
E:ILE733
|
4.7
|
93.1
|
1.0
|
|
CG
|
D:ARG947
|
4.8
|
91.5
|
1.0
|
|
HH22
|
D:ARG947
|
4.8
|
107.2
|
0.0
|
|
CG2
|
E:ILE733
|
4.9
|
92.3
|
1.0
|
|
CD2
|
D:PHE949
|
4.9
|
98.3
|
1.0
|
|
CZ
|
D:ARG928
|
4.9
|
93.0
|
1.0
|
|
HG2
|
D:ARG947
|
4.9
|
109.9
|
0.0
|
|
ND2
|
D:ASN907
|
4.9
|
91.0
|
1.0
|
|
H7
|
D:RVQ1201
|
4.9
|
109.3
|
0.0
|
|
HH11
|
D:ARG928
|
4.9
|
112.8
|
0.0
|
|
Chlorine binding site 4 out
of 6 in 8bu2
Go back to
Chlorine Binding Sites List in 8bu2
Chlorine binding site 4 out
of 6 in the Structure of DDB1 Bound to DS18-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 DS18-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1201
b:92.0
occ:1.00
|
CL2
|
D:RVQ1201
|
0.0
|
92.0
|
1.0
|
|
C12
|
D:RVQ1201
|
1.8
|
90.6
|
1.0
|
|
C13
|
D:RVQ1201
|
2.8
|
91.1
|
1.0
|
|
C11
|
D:RVQ1201
|
2.8
|
91.2
|
1.0
|
|
H7
|
D:RVQ1201
|
2.9
|
109.3
|
0.0
|
|
HA
|
D:ASN908
|
3.2
|
104.2
|
0.0
|
|
CL1
|
D:RVQ1201
|
3.2
|
92.4
|
1.0
|
|
HG3
|
D:ARG928
|
3.3
|
105.4
|
0.0
|
|
OD1
|
D:ASN907
|
3.3
|
98.2
|
1.0
|
|
O
|
D:ASN907
|
3.4
|
87.5
|
1.0
|
|
HD21
|
D:ASN907
|
3.5
|
109.3
|
0.0
|
|
CG
|
D:ASN907
|
3.6
|
89.2
|
1.0
|
|
ND2
|
D:ASN907
|
3.6
|
91.0
|
1.0
|
|
C
|
D:ASN907
|
3.7
|
87.4
|
1.0
|
|
HH21
|
D:ARG947
|
3.7
|
107.2
|
0.0
|
|
HG22
|
E:ILE733
|
3.7
|
110.8
|
0.0
|
|
NH2
|
D:ARG947
|
3.8
|
89.3
|
1.0
|
|
HG12
|
D:ILE909
|
3.8
|
103.5
|
0.0
|
|
CA
|
D:ASN908
|
3.9
|
86.8
|
1.0
|
|
HH22
|
D:ARG947
|
3.9
|
107.2
|
0.0
|
|
N
|
D:ASN908
|
4.0
|
87.6
|
1.0
|
|
C10
|
D:RVQ1201
|
4.0
|
92.7
|
1.0
|
|
C9
|
D:RVQ1201
|
4.0
|
91.1
|
1.0
|
|
CZ
|
D:ARG947
|
4.1
|
90.2
|
1.0
|
|
HD22
|
D:ASN907
|
4.2
|
109.3
|
0.0
|
|
HD11
|
D:ILE909
|
4.2
|
105.0
|
0.0
|
|
C
|
D:ASN908
|
4.2
|
86.5
|
1.0
|
|
CG
|
D:ARG928
|
4.2
|
87.8
|
1.0
|
|
H
|
D:ILE909
|
4.5
|
103.1
|
0.0
|
|
C8
|
D:RVQ1201
|
4.5
|
91.0
|
1.0
|
|
NE
|
D:ARG947
|
4.5
|
91.5
|
1.0
|
|
HA
|
D:ASN907
|
4.5
|
104.3
|
0.0
|
|
CA
|
D:ASN907
|
4.5
|
86.9
|
1.0
|
|
CB
|
D:ASN907
|
4.5
|
87.9
|
1.0
|
|
H
|
D:ASN908
|
4.5
|
105.1
|
0.0
|
|
HE
|
D:ARG947
|
4.5
|
109.8
|
0.0
|
|
N
|
D:ILE909
|
4.6
|
86.0
|
1.0
|
|
HB2
|
D:ARG928
|
4.6
|
106.0
|
0.0
|
|
CG1
|
D:ILE909
|
4.6
|
86.3
|
1.0
|
|
HB3
|
D:ARG928
|
4.6
|
106.0
|
0.0
|
|
CG2
|
E:ILE733
|
4.7
|
92.3
|
1.0
|
|
O
|
D:ASN908
|
4.7
|
87.2
|
1.0
|
|
NH1
|
D:ARG947
|
4.7
|
88.4
|
1.0
|
|
HG2
|
D:ARG928
|
4.7
|
105.4
|
0.0
|
|
HB3
|
D:ASN907
|
4.7
|
105.4
|
0.0
|
|
CD1
|
D:ILE909
|
4.8
|
87.5
|
1.0
|
|
HH12
|
D:ARG947
|
4.8
|
106.1
|
0.0
|
|
HA
|
E:ILE733
|
4.8
|
114.4
|
0.0
|
|
HD13
|
D:ILE909
|
4.8
|
105.0
|
0.0
|
|
CB
|
D:ARG928
|
4.8
|
88.3
|
1.0
|
|
HE
|
D:ARG928
|
4.8
|
108.5
|
0.0
|
|
HG21
|
E:ILE733
|
4.8
|
110.8
|
0.0
|
|
HD2
|
D:ARG928
|
4.9
|
106.6
|
0.0
|
|
H6
|
D:RVQ1201
|
4.9
|
111.3
|
0.0
|
|
Chlorine binding site 5 out
of 6 in 8bu2
Go back to
Chlorine Binding Sites List in 8bu2
Chlorine binding site 5 out
of 6 in the Structure of DDB1 Bound to DS18-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 DS18-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl1101
b:90.3
occ:1.00
|
CL1
|
H:RVQ1101
|
0.0
|
90.3
|
1.0
|
|
C11
|
H:RVQ1101
|
1.8
|
89.7
|
1.0
|
|
C12
|
H:RVQ1101
|
2.7
|
91.3
|
1.0
|
|
C10
|
H:RVQ1101
|
2.8
|
90.1
|
1.0
|
|
HD2
|
G:ARG928
|
2.9
|
105.7
|
0.0
|
|
H6
|
H:RVQ1101
|
2.9
|
108.1
|
0.0
|
|
HD3
|
G:ARG947
|
3.0
|
113.5
|
0.0
|
|
HG3
|
G:ARG928
|
3.0
|
105.3
|
0.0
|
|
CL2
|
H:RVQ1101
|
3.1
|
100.0
|
1.0
|
|
HB3
|
G:ARG928
|
3.3
|
105.4
|
0.0
|
|
HA
|
H:ILE733
|
3.4
|
110.4
|
0.0
|
|
CD
|
G:ARG928
|
3.6
|
88.1
|
1.0
|
|
CG
|
G:ARG928
|
3.6
|
87.8
|
1.0
|
|
CD
|
G:ARG947
|
3.7
|
94.6
|
1.0
|
|
NE
|
G:ARG947
|
3.7
|
92.9
|
1.0
|
|
CZ
|
G:ARG947
|
3.9
|
91.1
|
1.0
|
|
HD2
|
G:ARG947
|
3.9
|
113.5
|
0.0
|
|
CB
|
G:ARG928
|
3.9
|
87.8
|
1.0
|
|
HH11
|
G:ARG947
|
4.0
|
108.3
|
0.0
|
|
NH1
|
G:ARG947
|
4.0
|
90.2
|
1.0
|
|
C8
|
H:RVQ1101
|
4.0
|
89.4
|
1.0
|
|
C13
|
H:RVQ1101
|
4.1
|
88.9
|
1.0
|
|
HE
|
G:ARG947
|
4.1
|
111.5
|
0.0
|
|
O
|
H:ILE733
|
4.2
|
93.0
|
1.0
|
|
HG22
|
H:ILE733
|
4.2
|
107.3
|
0.0
|
|
NE
|
G:ARG928
|
4.2
|
88.8
|
1.0
|
|
CA
|
H:ILE733
|
4.3
|
92.0
|
1.0
|
|
HB
|
H:ILE733
|
4.3
|
108.1
|
0.0
|
|
HB2
|
G:ARG928
|
4.3
|
105.4
|
0.0
|
|
HE
|
G:ARG928
|
4.4
|
106.6
|
0.0
|
|
HD3
|
G:ARG928
|
4.4
|
105.7
|
0.0
|
|
HH12
|
G:ARG947
|
4.5
|
108.3
|
0.0
|
|
NH2
|
G:ARG947
|
4.5
|
91.2
|
1.0
|
|
HD21
|
G:ASN907
|
4.5
|
112.3
|
0.0
|
|
O
|
H:ILE732
|
4.5
|
94.9
|
1.0
|
|
HG2
|
G:ARG928
|
4.5
|
105.3
|
0.0
|
|
C9
|
H:RVQ1101
|
4.6
|
88.8
|
1.0
|
|
C
|
H:ILE733
|
4.6
|
93.5
|
1.0
|
|
HH21
|
G:ARG947
|
4.7
|
109.5
|
0.0
|
|
CB
|
H:ILE733
|
4.7
|
90.1
|
1.0
|
|
HD2
|
G:PHE949
|
4.7
|
118.6
|
0.0
|
|
HH11
|
G:ARG928
|
4.8
|
109.0
|
0.0
|
|
HH22
|
G:ARG947
|
4.9
|
109.5
|
0.0
|
|
HE2
|
G:PHE949
|
4.9
|
119.1
|
0.0
|
|
H7
|
H:RVQ1101
|
4.9
|
106.7
|
0.0
|
|
CZ
|
G:ARG928
|
4.9
|
89.3
|
1.0
|
|
CG2
|
H:ILE733
|
4.9
|
89.4
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 8bu2
Go back to
Chlorine Binding Sites List in 8bu2
Chlorine binding site 6 out
of 6 in the Structure of DDB1 Bound to DS18-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 DS18-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl1101
b:100.0
occ:1.00
|
CL2
|
H:RVQ1101
|
0.0
|
100.0
|
1.0
|
|
C12
|
H:RVQ1101
|
1.8
|
91.3
|
1.0
|
|
C11
|
H:RVQ1101
|
2.8
|
89.7
|
1.0
|
|
C13
|
H:RVQ1101
|
2.8
|
88.9
|
1.0
|
|
H7
|
H:RVQ1101
|
2.9
|
106.7
|
0.0
|
|
OD1
|
G:ASN907
|
3.0
|
92.3
|
1.0
|
|
CL1
|
H:RVQ1101
|
3.1
|
90.3
|
1.0
|
|
HA
|
G:ASN908
|
3.3
|
106.0
|
0.0
|
|
O
|
G:ASN907
|
3.5
|
92.7
|
1.0
|
|
HG3
|
G:ARG928
|
3.5
|
105.3
|
0.0
|
|
HG22
|
H:ILE733
|
3.6
|
107.3
|
0.0
|
|
CG
|
G:ASN907
|
3.6
|
93.0
|
1.0
|
|
C
|
G:ASN907
|
3.6
|
91.4
|
1.0
|
|
HG12
|
G:ILE909
|
3.7
|
105.2
|
0.0
|
|
N
|
G:ASN908
|
3.8
|
89.4
|
1.0
|
|
HD21
|
G:ASN907
|
3.8
|
112.3
|
0.0
|
|
CA
|
G:ASN908
|
3.9
|
88.4
|
1.0
|
|
ND2
|
G:ASN907
|
4.0
|
93.6
|
1.0
|
|
HH21
|
G:ARG947
|
4.0
|
109.5
|
0.0
|
|
C10
|
H:RVQ1101
|
4.1
|
90.1
|
1.0
|
|
C9
|
H:RVQ1101
|
4.1
|
88.8
|
1.0
|
|
NH2
|
G:ARG947
|
4.1
|
91.2
|
1.0
|
|
C
|
G:ASN908
|
4.1
|
88.2
|
1.0
|
|
HA
|
G:ASN907
|
4.2
|
110.5
|
0.0
|
|
HD13
|
G:ILE909
|
4.2
|
105.0
|
0.0
|
|
HD11
|
G:ILE909
|
4.2
|
105.0
|
0.0
|
|
HH22
|
G:ARG947
|
4.3
|
109.5
|
0.0
|
|
H
|
G:ASN908
|
4.3
|
107.3
|
0.0
|
|
CA
|
G:ASN907
|
4.4
|
92.1
|
1.0
|
|
CG2
|
H:ILE733
|
4.5
|
89.4
|
1.0
|
|
CZ
|
G:ARG947
|
4.5
|
91.1
|
1.0
|
|
O
|
G:ASN908
|
4.5
|
88.3
|
1.0
|
|
CG
|
G:ARG928
|
4.5
|
87.8
|
1.0
|
|
CG1
|
G:ILE909
|
4.5
|
87.7
|
1.0
|
|
H
|
G:ILE909
|
4.5
|
106.3
|
0.0
|
|
N
|
G:ILE909
|
4.5
|
88.6
|
1.0
|
|
CD1
|
G:ILE909
|
4.5
|
87.5
|
1.0
|
|
C8
|
H:RVQ1101
|
4.5
|
89.4
|
1.0
|
|
CB
|
G:ASN907
|
4.6
|
92.3
|
1.0
|
|
HG21
|
H:ILE733
|
4.6
|
107.3
|
0.0
|
|
HA
|
H:ILE733
|
4.6
|
110.4
|
0.0
|
|
HD22
|
G:ASN907
|
4.6
|
112.3
|
0.0
|
|
HE
|
G:ARG947
|
4.8
|
111.5
|
0.0
|
|
NE
|
G:ARG947
|
4.8
|
92.9
|
1.0
|
|
HB3
|
G:ARG928
|
4.8
|
105.4
|
0.0
|
|
HB2
|
G:ARG928
|
4.8
|
105.4
|
0.0
|
|
HG13
|
G:ILE909
|
4.9
|
105.2
|
0.0
|
|
H6
|
H:RVQ1101
|
4.9
|
108.1
|
0.0
|
|
HB3
|
G:ASN907
|
4.9
|
110.8
|
0.0
|
|
HB
|
H:ILE733
|
5.0
|
108.1
|
0.0
|
|
HG2
|
G:ARG928
|
5.0
|
105.3
|
0.0
|
|
CB
|
G:ARG928
|
5.0
|
87.8
|
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: Thu Dec 28 03:04:35 2023
|
