Chlorine in PDB 8bu4: Structure of DDB1 Bound to DS22-Engaged CDK12-Cyclin K
Enzymatic activity of Structure of DDB1 Bound to DS22-Engaged CDK12-Cyclin K
All present enzymatic activity of Structure of DDB1 Bound to DS22-Engaged CDK12-Cyclin K:
2.7.11.22;
2.7.11.23;
Protein crystallography data
The structure of Structure of DDB1 Bound to DS22-Engaged CDK12-Cyclin K, PDB code: 8bu4
was solved by
Z.Kozicka,
G.Kempf,
V.Focht,
N.H.Thoma,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
60.05 /
3.09
|
|
Space group
|
P 31 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
250.401,
250.401,
215.706,
90,
90,
120
|
|
R / Rfree (%)
|
20.5 /
22.3
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of DDB1 Bound to DS22-Engaged CDK12-Cyclin K
(pdb code 8bu4). 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 DS22-Engaged CDK12-Cyclin K, PDB code: 8bu4:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 8bu4
Go back to
Chlorine Binding Sites List in 8bu4
Chlorine binding site 1 out
of 6 in the Structure of DDB1 Bound to DS22-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 DS22-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1101
b:189.3
occ:1.00
|
CL1
|
B:RQL1101
|
0.0
|
189.3
|
1.0
|
|
C1
|
B:RQL1101
|
1.7
|
120.1
|
1.0
|
|
C4
|
B:RQL1101
|
2.7
|
113.2
|
1.0
|
|
C2
|
B:RQL1101
|
2.7
|
120.1
|
1.0
|
|
H2
|
B:RQL1101
|
2.8
|
135.8
|
0.0
|
|
HG3
|
A:ARG928
|
3.0
|
130.3
|
0.0
|
|
CL2
|
B:RQL1101
|
3.1
|
185.3
|
1.0
|
|
O
|
A:ASN907
|
3.4
|
103.5
|
1.0
|
|
HA
|
A:ASN908
|
3.5
|
123.8
|
0.0
|
|
OD1
|
A:ASN907
|
3.6
|
100.4
|
1.0
|
|
HG12
|
A:ILE909
|
3.6
|
123.6
|
0.0
|
|
C
|
A:ASN907
|
3.8
|
104.3
|
1.0
|
|
CG
|
A:ASN907
|
3.9
|
102.0
|
1.0
|
|
HD11
|
A:ILE909
|
4.0
|
125.2
|
0.0
|
|
C5
|
B:RQL1101
|
4.0
|
109.9
|
1.0
|
|
CG
|
A:ARG928
|
4.0
|
108.6
|
1.0
|
|
C3
|
B:RQL1101
|
4.0
|
115.0
|
1.0
|
|
HD21
|
A:ASN907
|
4.0
|
123.6
|
0.0
|
|
ND2
|
A:ASN907
|
4.1
|
103.0
|
1.0
|
|
N
|
A:ASN908
|
4.1
|
103.8
|
1.0
|
|
CA
|
A:ASN908
|
4.2
|
103.2
|
1.0
|
|
HG22
|
B:ILE733
|
4.2
|
119.7
|
0.0
|
|
NH2
|
A:ARG947
|
4.2
|
104.3
|
1.0
|
|
H
|
A:ILE909
|
4.3
|
123.0
|
0.0
|
|
CZ
|
A:ARG947
|
4.3
|
104.0
|
1.0
|
|
HD13
|
A:ILE909
|
4.3
|
125.2
|
0.0
|
|
HH22
|
A:ARG947
|
4.3
|
125.2
|
0.0
|
|
HB3
|
A:ARG928
|
4.4
|
126.0
|
0.0
|
|
HH21
|
A:ARG947
|
4.4
|
125.2
|
0.0
|
|
HA
|
A:ASN907
|
4.4
|
122.5
|
0.0
|
|
CG1
|
A:ILE909
|
4.4
|
103.0
|
1.0
|
|
CD1
|
A:ILE909
|
4.4
|
104.3
|
1.0
|
|
HD2
|
A:ARG928
|
4.5
|
133.8
|
0.0
|
|
C6
|
B:RQL1101
|
4.5
|
110.5
|
1.0
|
|
C
|
A:ASN908
|
4.5
|
101.2
|
1.0
|
|
HG2
|
A:ARG928
|
4.5
|
130.3
|
0.0
|
|
N
|
A:ILE909
|
4.5
|
102.5
|
1.0
|
|
NH1
|
A:ARG947
|
4.5
|
102.9
|
1.0
|
|
CA
|
A:ASN907
|
4.6
|
102.0
|
1.0
|
|
HE
|
A:ARG928
|
4.6
|
144.6
|
0.0
|
|
HD22
|
A:ASN907
|
4.6
|
123.6
|
0.0
|
|
HB2
|
A:ARG928
|
4.6
|
126.0
|
0.0
|
|
HH12
|
A:ARG947
|
4.6
|
123.5
|
0.0
|
|
CB
|
A:ARG928
|
4.6
|
105.0
|
1.0
|
|
HA
|
B:ILE733
|
4.6
|
123.3
|
0.0
|
|
NE
|
A:ARG947
|
4.7
|
103.8
|
1.0
|
|
CB
|
A:ASN907
|
4.7
|
100.5
|
1.0
|
|
CD
|
A:ARG928
|
4.7
|
111.5
|
1.0
|
|
H
|
A:ASN908
|
4.7
|
124.5
|
0.0
|
|
HB3
|
A:ASN907
|
4.8
|
120.6
|
0.0
|
|
H1
|
B:RQL1101
|
4.8
|
138.1
|
0.0
|
|
HG13
|
A:ILE909
|
4.9
|
123.6
|
0.0
|
|
HE
|
A:ARG947
|
4.9
|
124.5
|
0.0
|
|
NE
|
A:ARG928
|
4.9
|
120.5
|
1.0
|
|
HD3
|
A:ARG947
|
4.9
|
124.4
|
0.0
|
|
HH11
|
A:ARG947
|
4.9
|
123.5
|
0.0
|
|
Chlorine binding site 2 out
of 6 in 8bu4
Go back to
Chlorine Binding Sites List in 8bu4
Chlorine binding site 2 out
of 6 in the Structure of DDB1 Bound to DS22-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 DS22-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1101
b:185.3
occ:1.00
|
CL2
|
B:RQL1101
|
0.0
|
185.3
|
1.0
|
|
C2
|
B:RQL1101
|
1.7
|
120.1
|
1.0
|
|
C3
|
B:RQL1101
|
2.7
|
115.0
|
1.0
|
|
C1
|
B:RQL1101
|
2.7
|
120.1
|
1.0
|
|
HD3
|
A:ARG947
|
2.8
|
124.4
|
0.0
|
|
H1
|
B:RQL1101
|
2.8
|
138.1
|
0.0
|
|
HD2
|
A:ARG928
|
3.0
|
133.8
|
0.0
|
|
CL1
|
B:RQL1101
|
3.1
|
189.3
|
1.0
|
|
HA
|
B:ILE733
|
3.2
|
123.3
|
0.0
|
|
HD2
|
A:ARG947
|
3.3
|
124.4
|
0.0
|
|
CD
|
A:ARG947
|
3.4
|
103.7
|
1.0
|
|
HG3
|
A:ARG928
|
3.5
|
130.3
|
0.0
|
|
O
|
B:ILE733
|
3.6
|
104.3
|
1.0
|
|
HB3
|
A:ARG928
|
3.7
|
126.0
|
0.0
|
|
NE
|
A:ARG947
|
3.7
|
103.8
|
1.0
|
|
CD
|
A:ARG928
|
3.9
|
111.5
|
1.0
|
|
C6
|
B:RQL1101
|
4.0
|
110.5
|
1.0
|
|
HH11
|
A:ARG947
|
4.0
|
123.5
|
0.0
|
|
C4
|
B:RQL1101
|
4.0
|
113.2
|
1.0
|
|
CG
|
A:ARG928
|
4.1
|
108.6
|
1.0
|
|
CA
|
B:ILE733
|
4.1
|
102.7
|
1.0
|
|
CZ
|
A:ARG947
|
4.1
|
104.0
|
1.0
|
|
HE
|
A:ARG947
|
4.1
|
124.5
|
0.0
|
|
O
|
B:ILE732
|
4.2
|
104.0
|
1.0
|
|
NH1
|
A:ARG947
|
4.2
|
102.9
|
1.0
|
|
C
|
B:ILE733
|
4.3
|
103.7
|
1.0
|
|
HD1
|
A:PHE949
|
4.3
|
128.3
|
0.0
|
|
CB
|
A:ARG928
|
4.4
|
105.0
|
1.0
|
|
NE
|
A:ARG928
|
4.4
|
120.5
|
1.0
|
|
HG22
|
B:ILE733
|
4.4
|
119.7
|
0.0
|
|
HD21
|
A:ASN907
|
4.5
|
123.6
|
0.0
|
|
HE1
|
A:PHE949
|
4.5
|
127.8
|
0.0
|
|
C5
|
B:RQL1101
|
4.5
|
109.9
|
1.0
|
|
HB
|
B:ILE733
|
4.6
|
121.7
|
0.0
|
|
HD3
|
A:ARG928
|
4.6
|
133.8
|
0.0
|
|
HH11
|
A:ARG928
|
4.6
|
136.1
|
0.0
|
|
HE
|
A:ARG928
|
4.7
|
144.6
|
0.0
|
|
HH12
|
A:ARG947
|
4.8
|
123.5
|
0.0
|
|
H2
|
B:RQL1101
|
4.8
|
135.8
|
0.0
|
|
CG
|
A:ARG947
|
4.8
|
100.8
|
1.0
|
|
CB
|
B:ILE733
|
4.8
|
101.4
|
1.0
|
|
HG2
|
A:ARG947
|
4.9
|
120.9
|
0.0
|
|
NH2
|
A:ARG947
|
4.9
|
104.3
|
1.0
|
|
HB2
|
A:ARG928
|
4.9
|
126.0
|
0.0
|
|
ND2
|
A:ASN907
|
4.9
|
103.0
|
1.0
|
|
CZ
|
A:ARG928
|
4.9
|
112.9
|
1.0
|
|
CD1
|
A:PHE949
|
4.9
|
107.0
|
1.0
|
|
HG2
|
A:ARG928
|
5.0
|
130.3
|
0.0
|
|
NH1
|
A:ARG928
|
5.0
|
113.4
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 8bu4
Go back to
Chlorine Binding Sites List in 8bu4
Chlorine binding site 3 out
of 6 in the Structure of DDB1 Bound to DS22-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 DS22-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl1101
b:128.3
occ:1.00
|
CL1
|
E:RQL1101
|
0.0
|
128.3
|
1.0
|
|
C1
|
E:RQL1101
|
1.7
|
103.0
|
1.0
|
|
C4
|
E:RQL1101
|
2.7
|
99.5
|
1.0
|
|
C2
|
E:RQL1101
|
2.7
|
104.0
|
1.0
|
|
H2
|
E:RQL1101
|
2.8
|
119.4
|
0.0
|
|
HG3
|
D:ARG928
|
3.0
|
113.1
|
0.0
|
|
CL2
|
E:RQL1101
|
3.2
|
151.8
|
1.0
|
|
HA
|
D:ASN908
|
3.4
|
105.4
|
0.0
|
|
O
|
D:ASN907
|
3.4
|
94.4
|
1.0
|
|
OD1
|
D:ASN907
|
3.5
|
94.9
|
1.0
|
|
C
|
D:ASN907
|
3.7
|
96.1
|
1.0
|
|
CG
|
D:ASN907
|
3.8
|
105.4
|
1.0
|
|
HG12
|
D:ILE909
|
3.9
|
106.2
|
0.0
|
|
HD21
|
D:ASN907
|
3.9
|
136.4
|
0.0
|
|
C5
|
E:RQL1101
|
4.0
|
97.9
|
1.0
|
|
CG
|
D:ARG928
|
4.0
|
94.3
|
1.0
|
|
ND2
|
D:ASN907
|
4.0
|
113.6
|
1.0
|
|
NH2
|
D:ARG947
|
4.0
|
94.0
|
1.0
|
|
C3
|
E:RQL1101
|
4.0
|
101.6
|
1.0
|
|
N
|
D:ASN908
|
4.1
|
98.4
|
1.0
|
|
CA
|
D:ASN908
|
4.1
|
87.9
|
1.0
|
|
CZ
|
D:ARG947
|
4.1
|
93.5
|
1.0
|
|
HH22
|
D:ARG947
|
4.1
|
112.8
|
0.0
|
|
HH21
|
D:ARG947
|
4.1
|
112.8
|
0.0
|
|
HB3
|
D:ARG928
|
4.2
|
110.2
|
0.0
|
|
HD11
|
D:ILE909
|
4.3
|
108.0
|
0.0
|
|
H
|
D:ILE909
|
4.4
|
98.0
|
0.0
|
|
HG22
|
E:ILE733
|
4.4
|
112.0
|
0.0
|
|
HB2
|
D:ARG928
|
4.4
|
110.2
|
0.0
|
|
HA
|
D:ASN907
|
4.5
|
110.9
|
0.0
|
|
NH1
|
D:ARG947
|
4.5
|
90.9
|
1.0
|
|
NE
|
D:ARG947
|
4.5
|
94.9
|
1.0
|
|
C6
|
E:RQL1101
|
4.5
|
98.9
|
1.0
|
|
CB
|
D:ARG928
|
4.5
|
91.9
|
1.0
|
|
HD22
|
D:ASN907
|
4.5
|
136.4
|
0.0
|
|
HG2
|
D:ARG928
|
4.5
|
113.1
|
0.0
|
|
CA
|
D:ASN907
|
4.5
|
92.4
|
1.0
|
|
C
|
D:ASN908
|
4.5
|
89.2
|
1.0
|
|
HD2
|
D:ARG928
|
4.6
|
114.7
|
0.0
|
|
HH12
|
D:ARG947
|
4.6
|
109.1
|
0.0
|
|
CB
|
D:ASN907
|
4.6
|
93.4
|
1.0
|
|
HE
|
D:ARG947
|
4.6
|
113.9
|
0.0
|
|
N
|
D:ILE909
|
4.6
|
81.7
|
1.0
|
|
HA
|
E:ILE733
|
4.6
|
115.7
|
0.0
|
|
HB3
|
D:ASN907
|
4.7
|
112.1
|
0.0
|
|
H
|
D:ASN908
|
4.7
|
118.1
|
0.0
|
|
CG1
|
D:ILE909
|
4.7
|
88.5
|
1.0
|
|
H1
|
E:RQL1101
|
4.8
|
122.0
|
0.0
|
|
HD13
|
D:ILE909
|
4.8
|
108.0
|
0.0
|
|
CD
|
D:ARG928
|
4.8
|
95.6
|
1.0
|
|
CD1
|
D:ILE909
|
4.8
|
90.0
|
1.0
|
|
HD3
|
D:ARG947
|
4.8
|
111.7
|
0.0
|
|
HE
|
D:ARG928
|
4.9
|
116.0
|
0.0
|
|
HH11
|
D:ARG947
|
4.9
|
109.1
|
0.0
|
|
Chlorine binding site 4 out
of 6 in 8bu4
Go back to
Chlorine Binding Sites List in 8bu4
Chlorine binding site 4 out
of 6 in the Structure of DDB1 Bound to DS22-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 DS22-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl1101
b:151.8
occ:1.00
|
CL2
|
E:RQL1101
|
0.0
|
151.8
|
1.0
|
|
C2
|
E:RQL1101
|
1.7
|
104.0
|
1.0
|
|
C3
|
E:RQL1101
|
2.7
|
101.6
|
1.0
|
|
C1
|
E:RQL1101
|
2.7
|
103.0
|
1.0
|
|
H1
|
E:RQL1101
|
2.8
|
122.0
|
0.0
|
|
HD3
|
D:ARG947
|
2.8
|
111.7
|
0.0
|
|
HD2
|
D:ARG928
|
2.8
|
114.7
|
0.0
|
|
CL1
|
E:RQL1101
|
3.2
|
128.3
|
1.0
|
|
HB3
|
D:ARG928
|
3.2
|
110.2
|
0.0
|
|
HG3
|
D:ARG928
|
3.2
|
113.1
|
0.0
|
|
HD2
|
D:ARG947
|
3.3
|
111.7
|
0.0
|
|
CD
|
D:ARG947
|
3.4
|
93.1
|
1.0
|
|
HA
|
E:ILE733
|
3.6
|
115.7
|
0.0
|
|
CD
|
D:ARG928
|
3.6
|
95.6
|
1.0
|
|
NE
|
D:ARG947
|
3.7
|
94.9
|
1.0
|
|
CG
|
D:ARG928
|
3.7
|
94.3
|
1.0
|
|
O
|
E:ILE733
|
3.8
|
96.2
|
1.0
|
|
CB
|
D:ARG928
|
3.9
|
91.9
|
1.0
|
|
C6
|
E:RQL1101
|
4.0
|
98.9
|
1.0
|
|
HH11
|
D:ARG947
|
4.0
|
109.1
|
0.0
|
|
C4
|
E:RQL1101
|
4.0
|
99.5
|
1.0
|
|
HE
|
D:ARG947
|
4.0
|
113.9
|
0.0
|
|
CZ
|
D:ARG947
|
4.0
|
93.5
|
1.0
|
|
NH1
|
D:ARG947
|
4.2
|
90.9
|
1.0
|
|
HD1
|
D:PHE949
|
4.3
|
118.2
|
0.0
|
|
NE
|
D:ARG928
|
4.3
|
96.7
|
1.0
|
|
HD3
|
D:ARG928
|
4.4
|
114.7
|
0.0
|
|
HB2
|
D:ARG928
|
4.4
|
110.2
|
0.0
|
|
CA
|
E:ILE733
|
4.5
|
96.4
|
1.0
|
|
C5
|
E:RQL1101
|
4.5
|
97.9
|
1.0
|
|
C
|
E:ILE733
|
4.5
|
96.0
|
1.0
|
|
O
|
E:ILE732
|
4.6
|
98.3
|
1.0
|
|
HH11
|
D:ARG928
|
4.6
|
116.1
|
0.0
|
|
HE
|
D:ARG928
|
4.7
|
116.0
|
0.0
|
|
HG2
|
D:ARG928
|
4.7
|
113.1
|
0.0
|
|
HE1
|
D:PHE949
|
4.7
|
118.9
|
0.0
|
|
HH12
|
D:ARG947
|
4.7
|
109.1
|
0.0
|
|
H2
|
E:RQL1101
|
4.8
|
119.4
|
0.0
|
|
CG
|
D:ARG947
|
4.8
|
92.2
|
1.0
|
|
HD21
|
D:ASN907
|
4.8
|
136.4
|
0.0
|
|
HG22
|
E:ILE733
|
4.8
|
112.0
|
0.0
|
|
NH2
|
D:ARG947
|
4.8
|
94.0
|
1.0
|
|
HB
|
E:ILE733
|
4.9
|
113.4
|
0.0
|
|
HG2
|
D:ARG947
|
4.9
|
110.7
|
0.0
|
|
CD1
|
D:PHE949
|
4.9
|
98.5
|
1.0
|
|
HA
|
D:ARG928
|
4.9
|
107.3
|
0.0
|
|
HA
|
D:PHE949
|
4.9
|
115.3
|
0.0
|
|
CZ
|
D:ARG928
|
5.0
|
98.2
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 8bu4
Go back to
Chlorine Binding Sites List in 8bu4
Chlorine binding site 5 out
of 6 in the Structure of DDB1 Bound to DS22-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 DS22-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl1101
b:119.8
occ:1.00
|
CL1
|
H:RQL1101
|
0.0
|
119.8
|
1.0
|
|
C1
|
H:RQL1101
|
1.7
|
96.9
|
1.0
|
|
C4
|
H:RQL1101
|
2.7
|
92.2
|
1.0
|
|
C2
|
H:RQL1101
|
2.7
|
97.5
|
1.0
|
|
H2
|
H:RQL1101
|
2.8
|
110.6
|
0.0
|
|
CL2
|
H:RQL1101
|
3.2
|
156.3
|
1.0
|
|
HA
|
G:ASN908
|
3.2
|
105.7
|
0.0
|
|
O
|
G:ASN907
|
3.3
|
95.1
|
1.0
|
|
OD1
|
G:ASN907
|
3.3
|
92.8
|
1.0
|
|
HG3
|
G:ARG928
|
3.3
|
103.8
|
0.0
|
|
C
|
G:ASN907
|
3.6
|
94.0
|
1.0
|
|
HG12
|
G:ILE909
|
3.6
|
102.9
|
0.0
|
|
CG
|
G:ASN907
|
3.7
|
93.7
|
1.0
|
|
N
|
G:ASN908
|
3.8
|
90.3
|
1.0
|
|
CA
|
G:ASN908
|
3.8
|
88.1
|
1.0
|
|
NH2
|
G:ARG947
|
3.8
|
93.2
|
1.0
|
|
HH22
|
G:ARG947
|
3.9
|
111.8
|
0.0
|
|
C5
|
H:RQL1101
|
4.0
|
90.2
|
1.0
|
|
HH21
|
G:ARG947
|
4.0
|
111.8
|
0.0
|
|
CZ
|
G:ARG947
|
4.0
|
96.1
|
1.0
|
|
HD21
|
G:ASN907
|
4.0
|
112.6
|
0.0
|
|
C3
|
H:RQL1101
|
4.0
|
93.8
|
1.0
|
|
H
|
G:ILE909
|
4.1
|
102.5
|
0.0
|
|
ND2
|
G:ASN907
|
4.1
|
93.8
|
1.0
|
|
C
|
G:ASN908
|
4.2
|
86.8
|
1.0
|
|
HG22
|
H:ILE733
|
4.2
|
104.7
|
0.0
|
|
HA
|
G:ASN907
|
4.2
|
113.1
|
0.0
|
|
N
|
G:ILE909
|
4.3
|
85.4
|
1.0
|
|
CG
|
G:ARG928
|
4.3
|
86.5
|
1.0
|
|
NH1
|
G:ARG947
|
4.4
|
100.2
|
1.0
|
|
CA
|
G:ASN907
|
4.4
|
94.3
|
1.0
|
|
H
|
G:ASN908
|
4.4
|
108.4
|
0.0
|
|
HH12
|
G:ARG947
|
4.4
|
120.3
|
0.0
|
|
HD13
|
G:ILE909
|
4.4
|
106.2
|
0.0
|
|
NE
|
G:ARG947
|
4.4
|
96.9
|
1.0
|
|
HD11
|
G:ILE909
|
4.4
|
106.2
|
0.0
|
|
C6
|
H:RQL1101
|
4.5
|
91.0
|
1.0
|
|
CG1
|
G:ILE909
|
4.5
|
85.8
|
1.0
|
|
HE
|
G:ARG947
|
4.5
|
116.3
|
0.0
|
|
CB
|
G:ASN907
|
4.6
|
94.0
|
1.0
|
|
HD22
|
G:ASN907
|
4.7
|
112.6
|
0.0
|
|
HB3
|
G:ARG928
|
4.7
|
102.7
|
0.0
|
|
HA
|
H:ILE733
|
4.7
|
107.8
|
0.0
|
|
CD1
|
G:ILE909
|
4.7
|
88.5
|
1.0
|
|
HB3
|
G:ASN907
|
4.8
|
112.9
|
0.0
|
|
HH11
|
G:ARG947
|
4.8
|
120.3
|
0.0
|
|
H1
|
H:RQL1101
|
4.8
|
112.6
|
0.0
|
|
HE
|
G:ARG928
|
4.8
|
107.2
|
0.0
|
|
HG2
|
G:ARG928
|
4.8
|
103.8
|
0.0
|
|
HD2
|
G:ARG928
|
4.8
|
105.0
|
0.0
|
|
O
|
G:ASN908
|
4.9
|
100.7
|
1.0
|
|
HB2
|
G:ARG928
|
4.9
|
102.7
|
0.0
|
|
CB
|
G:ARG928
|
4.9
|
85.6
|
1.0
|
|
HG13
|
G:ILE909
|
4.9
|
102.9
|
0.0
|
|
Chlorine binding site 6 out
of 6 in 8bu4
Go back to
Chlorine Binding Sites List in 8bu4
Chlorine binding site 6 out
of 6 in the Structure of DDB1 Bound to DS22-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 DS22-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl1101
b:156.3
occ:1.00
|
CL2
|
H:RQL1101
|
0.0
|
156.3
|
1.0
|
|
C2
|
H:RQL1101
|
1.7
|
97.5
|
1.0
|
|
C3
|
H:RQL1101
|
2.7
|
93.8
|
1.0
|
|
C1
|
H:RQL1101
|
2.7
|
96.9
|
1.0
|
|
H1
|
H:RQL1101
|
2.8
|
112.6
|
0.0
|
|
HD3
|
G:ARG947
|
2.9
|
115.1
|
0.0
|
|
HE
|
G:ARG947
|
3.1
|
116.3
|
0.0
|
|
HD2
|
G:ARG928
|
3.1
|
105.0
|
0.0
|
|
CL1
|
H:RQL1101
|
3.2
|
119.8
|
1.0
|
|
NE
|
G:ARG947
|
3.2
|
96.9
|
1.0
|
|
HG3
|
G:ARG928
|
3.3
|
103.8
|
0.0
|
|
HB3
|
G:ARG928
|
3.4
|
102.7
|
0.0
|
|
CD
|
G:ARG947
|
3.5
|
95.9
|
1.0
|
|
HA
|
H:ILE733
|
3.5
|
107.8
|
0.0
|
|
CZ
|
G:ARG947
|
3.8
|
96.1
|
1.0
|
|
CD
|
G:ARG928
|
3.9
|
87.5
|
1.0
|
|
CG
|
G:ARG928
|
3.9
|
86.5
|
1.0
|
|
HD2
|
G:ARG947
|
3.9
|
115.1
|
0.0
|
|
C6
|
H:RQL1101
|
4.0
|
91.0
|
1.0
|
|
O
|
H:ILE733
|
4.0
|
91.8
|
1.0
|
|
C4
|
H:RQL1101
|
4.0
|
92.2
|
1.0
|
|
CB
|
G:ARG928
|
4.1
|
85.6
|
1.0
|
|
HH21
|
G:ARG947
|
4.2
|
111.8
|
0.0
|
|
NH2
|
G:ARG947
|
4.3
|
93.2
|
1.0
|
|
O
|
H:ILE732
|
4.3
|
90.6
|
1.0
|
|
HG22
|
H:ILE733
|
4.4
|
104.7
|
0.0
|
|
CA
|
H:ILE733
|
4.4
|
89.8
|
1.0
|
|
NE
|
G:ARG928
|
4.4
|
89.3
|
1.0
|
|
HD21
|
G:ASN907
|
4.5
|
112.6
|
0.0
|
|
C5
|
H:RQL1101
|
4.5
|
90.2
|
1.0
|
|
NH1
|
G:ARG947
|
4.5
|
100.2
|
1.0
|
|
C
|
H:ILE733
|
4.6
|
90.8
|
1.0
|
|
HH11
|
G:ARG947
|
4.6
|
120.3
|
0.0
|
|
HD1
|
G:PHE949
|
4.6
|
117.7
|
0.0
|
|
HB2
|
G:ARG928
|
4.6
|
102.7
|
0.0
|
|
HD3
|
G:ARG928
|
4.6
|
105.0
|
0.0
|
|
HE
|
G:ARG928
|
4.7
|
107.2
|
0.0
|
|
HG2
|
G:ARG947
|
4.7
|
113.2
|
0.0
|
|
H2
|
H:RQL1101
|
4.7
|
110.6
|
0.0
|
|
CG
|
G:ARG947
|
4.8
|
94.3
|
1.0
|
|
HG2
|
G:ARG928
|
4.8
|
103.8
|
0.0
|
|
HE1
|
G:PHE949
|
4.8
|
116.1
|
0.0
|
|
HH11
|
G:ARG928
|
4.9
|
108.7
|
0.0
|
|
HH22
|
G:ARG947
|
4.9
|
111.8
|
0.0
|
|
ND2
|
G:ASN907
|
5.0
|
93.8
|
1.0
|
|
Reference:
Z.Kozicka,
G.Kempf,
V.Focht,
N.H.Thoma.
Structure of DDB1 Bound to DS22-Engaged CDK12-Cyclin K To Be Published.
Page generated: Tue Jul 30 07:26:09 2024
|
