Chlorine in PDB 8bu7: Structure of DDB1 Bound to 21195-Engaged CDK12-Cyclin K
Enzymatic activity of Structure of DDB1 Bound to 21195-Engaged CDK12-Cyclin K
All present enzymatic activity of Structure of DDB1 Bound to 21195-Engaged CDK12-Cyclin K:
2.7.11.22;
2.7.11.23;
Protein crystallography data
The structure of Structure of DDB1 Bound to 21195-Engaged CDK12-Cyclin K, PDB code: 8bu7
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)
|
72.87 /
3.25
|
|
Space group
|
P 31 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
248.683,
248.683,
218.597,
90,
90,
120
|
|
R / Rfree (%)
|
19.2 /
21.9
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of DDB1 Bound to 21195-Engaged CDK12-Cyclin K
(pdb code 8bu7). 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 21195-Engaged CDK12-Cyclin K, PDB code: 8bu7:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 8bu7
Go back to
Chlorine Binding Sites List in 8bu7
Chlorine binding site 1 out
of 6 in the Structure of DDB1 Bound to 21195-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 21195-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1202
b:208.7
occ:1.00
|
CL1
|
A:RS51202
|
0.0
|
208.7
|
1.0
|
|
C19
|
A:RS51202
|
1.8
|
147.0
|
1.0
|
|
C20
|
A:RS51202
|
2.7
|
146.8
|
1.0
|
|
H20
|
A:RS51202
|
2.8
|
176.1
|
0.0
|
|
C18
|
A:RS51202
|
2.8
|
141.6
|
1.0
|
|
HB2
|
B:ASP877
|
3.0
|
165.1
|
0.0
|
|
N3
|
A:RS51202
|
3.1
|
134.7
|
1.0
|
|
HD11
|
B:LEU866
|
3.2
|
129.8
|
0.0
|
|
HB3
|
B:ALA876
|
3.2
|
139.1
|
0.0
|
|
N4
|
A:RS51202
|
3.2
|
132.1
|
1.0
|
|
HD21
|
B:LEU866
|
3.5
|
131.8
|
0.0
|
|
H12
|
A:RS51202
|
3.5
|
158.5
|
0.0
|
|
HA
|
B:ASN864
|
3.6
|
153.1
|
0.0
|
|
HB1
|
B:ALA876
|
3.6
|
139.1
|
0.0
|
|
CB
|
B:ALA876
|
3.8
|
115.9
|
1.0
|
|
C13
|
A:RS51202
|
3.9
|
131.8
|
1.0
|
|
H17
|
A:RS51202
|
3.9
|
145.5
|
0.0
|
|
CB
|
B:ASP877
|
4.0
|
137.6
|
1.0
|
|
C21
|
A:RS51202
|
4.0
|
147.1
|
1.0
|
|
C23
|
A:RS51202
|
4.1
|
143.9
|
1.0
|
|
CD1
|
B:LEU866
|
4.1
|
108.2
|
1.0
|
|
HG
|
B:LEU866
|
4.1
|
128.0
|
0.0
|
|
C14
|
A:RS51202
|
4.1
|
128.4
|
1.0
|
|
HZ1
|
B:LYS756
|
4.2
|
147.4
|
0.0
|
|
H
|
B:ASP877
|
4.2
|
156.7
|
0.0
|
|
N
|
B:ASP877
|
4.3
|
130.6
|
1.0
|
|
CD2
|
B:LEU866
|
4.3
|
109.8
|
1.0
|
|
O
|
B:SER863
|
4.4
|
130.8
|
1.0
|
|
O
|
B:ASN864
|
4.4
|
126.8
|
1.0
|
|
HB3
|
B:ASP877
|
4.4
|
165.1
|
0.0
|
|
CG
|
B:LEU866
|
4.4
|
106.7
|
1.0
|
|
CA
|
B:ASN864
|
4.5
|
127.6
|
1.0
|
|
HB2
|
B:ALA876
|
4.5
|
139.1
|
0.0
|
|
C12
|
A:RS51202
|
4.5
|
128.2
|
1.0
|
|
C
|
B:ALA876
|
4.5
|
119.3
|
1.0
|
|
HD12
|
B:LEU866
|
4.5
|
129.8
|
0.0
|
|
C22
|
A:RS51202
|
4.6
|
145.3
|
1.0
|
|
N2
|
A:RS51202
|
4.6
|
131.5
|
1.0
|
|
CA
|
B:ASP877
|
4.6
|
132.2
|
1.0
|
|
HD13
|
B:LEU866
|
4.7
|
129.8
|
0.0
|
|
C17
|
A:RS51202
|
4.7
|
121.2
|
1.0
|
|
CG
|
B:ASP877
|
4.7
|
142.4
|
1.0
|
|
HD23
|
B:LEU866
|
4.7
|
131.8
|
0.0
|
|
OD1
|
B:ASN864
|
4.7
|
140.6
|
1.0
|
|
H18
|
A:RS51202
|
4.7
|
145.5
|
0.0
|
|
H21
|
A:RS51202
|
4.7
|
176.6
|
0.0
|
|
HA
|
B:ASP877
|
4.8
|
158.6
|
0.0
|
|
CA
|
B:ALA876
|
4.8
|
117.0
|
1.0
|
|
C
|
B:ASN864
|
4.8
|
122.9
|
1.0
|
|
HE3
|
B:LYS756
|
4.8
|
142.0
|
0.0
|
|
HD22
|
B:LEU866
|
5.0
|
131.8
|
0.0
|
|
Chlorine binding site 2 out
of 6 in 8bu7
Go back to
Chlorine Binding Sites List in 8bu7
Chlorine binding site 2 out
of 6 in the Structure of DDB1 Bound to 21195-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 21195-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1202
b:175.9
occ:1.00
|
CL2
|
A:RS51202
|
0.0
|
175.9
|
1.0
|
|
C23
|
A:RS51202
|
1.8
|
143.9
|
1.0
|
|
C18
|
A:RS51202
|
2.7
|
141.6
|
1.0
|
|
C22
|
A:RS51202
|
2.7
|
145.3
|
1.0
|
|
H22
|
A:RS51202
|
2.8
|
174.3
|
0.0
|
|
HG13
|
B:ILE733
|
2.9
|
144.2
|
0.0
|
|
HA3
|
B:GLY734
|
2.9
|
135.2
|
0.0
|
|
N3
|
A:RS51202
|
3.0
|
134.7
|
1.0
|
|
C13
|
A:RS51202
|
3.1
|
131.8
|
1.0
|
|
N2
|
A:RS51202
|
3.2
|
131.5
|
1.0
|
|
HB
|
B:VAL741
|
3.4
|
125.5
|
0.0
|
|
HD11
|
B:ILE733
|
3.5
|
152.4
|
0.0
|
|
HD12
|
B:ILE733
|
3.5
|
152.4
|
0.0
|
|
CG1
|
B:ILE733
|
3.7
|
120.1
|
1.0
|
|
CA
|
B:GLY734
|
3.7
|
112.7
|
1.0
|
|
HB
|
B:ILE733
|
3.7
|
147.9
|
0.0
|
|
CD1
|
B:ILE733
|
3.7
|
127.0
|
1.0
|
|
N
|
B:GLY734
|
3.8
|
111.0
|
1.0
|
|
HG11
|
B:VAL741
|
3.8
|
125.6
|
0.0
|
|
N4
|
A:RS51202
|
3.9
|
132.1
|
1.0
|
|
H
|
B:GLY734
|
3.9
|
133.2
|
0.0
|
|
HG21
|
B:VAL741
|
3.9
|
127.5
|
0.0
|
|
H12
|
A:RS51202
|
4.0
|
158.5
|
0.0
|
|
H8
|
A:RS51202
|
4.0
|
152.6
|
0.0
|
|
C21
|
A:RS51202
|
4.0
|
147.1
|
1.0
|
|
C19
|
A:RS51202
|
4.1
|
147.0
|
1.0
|
|
CB
|
B:VAL741
|
4.2
|
104.6
|
1.0
|
|
C
|
B:ILE733
|
4.2
|
122.7
|
1.0
|
|
C12
|
A:RS51202
|
4.2
|
128.2
|
1.0
|
|
C10
|
A:RS51202
|
4.2
|
127.4
|
1.0
|
|
CB
|
B:ILE733
|
4.2
|
123.2
|
1.0
|
|
CG2
|
B:VAL741
|
4.4
|
106.3
|
1.0
|
|
CG1
|
B:VAL741
|
4.4
|
104.6
|
1.0
|
|
HG23
|
B:VAL741
|
4.4
|
127.5
|
0.0
|
|
C
|
B:GLY734
|
4.4
|
114.9
|
1.0
|
|
HG12
|
B:ILE733
|
4.4
|
144.2
|
0.0
|
|
HA2
|
B:GLY734
|
4.5
|
135.2
|
0.0
|
|
C7
|
A:RS51202
|
4.5
|
127.2
|
1.0
|
|
C14
|
A:RS51202
|
4.5
|
128.4
|
1.0
|
|
O
|
B:ILE733
|
4.5
|
126.9
|
1.0
|
|
C20
|
A:RS51202
|
4.6
|
146.8
|
1.0
|
|
HG12
|
B:VAL741
|
4.6
|
125.6
|
0.0
|
|
HD13
|
B:ILE733
|
4.7
|
152.4
|
0.0
|
|
H21
|
A:RS51202
|
4.7
|
176.6
|
0.0
|
|
O
|
B:GLY734
|
4.8
|
114.3
|
1.0
|
|
CA
|
B:ILE733
|
4.9
|
122.0
|
1.0
|
|
H11
|
A:RS51202
|
4.9
|
153.1
|
0.0
|
|
C6
|
A:RS51202
|
4.9
|
126.5
|
1.0
|
|
C9
|
A:RS51202
|
4.9
|
127.6
|
1.0
|
|
C11
|
A:RS51202
|
5.0
|
124.7
|
1.0
|
|
N1
|
A:RS51202
|
5.0
|
125.3
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 8bu7
Go back to
Chlorine Binding Sites List in 8bu7
Chlorine binding site 3 out
of 6 in the Structure of DDB1 Bound to 21195-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 21195-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl1101
b:204.3
occ:1.00
|
CL1
|
E:RS51101
|
0.0
|
204.3
|
1.0
|
|
C19
|
E:RS51101
|
1.8
|
141.9
|
1.0
|
|
C18
|
E:RS51101
|
2.7
|
138.8
|
1.0
|
|
C20
|
E:RS51101
|
2.7
|
140.4
|
1.0
|
|
H20
|
E:RS51101
|
2.8
|
168.5
|
0.0
|
|
H12
|
E:RS51101
|
2.8
|
155.9
|
0.0
|
|
N3
|
E:RS51101
|
3.0
|
131.8
|
1.0
|
|
HA
|
E:ASN864
|
3.1
|
137.1
|
0.0
|
|
N4
|
E:RS51101
|
3.2
|
129.9
|
1.0
|
|
HD21
|
E:LEU866
|
3.2
|
124.8
|
0.0
|
|
HB2
|
E:ASP877
|
3.3
|
167.3
|
0.0
|
|
HD11
|
E:LEU866
|
3.4
|
121.3
|
0.0
|
|
HB3
|
E:ALA876
|
3.5
|
121.6
|
0.0
|
|
O
|
E:SER863
|
3.5
|
114.3
|
1.0
|
|
C13
|
E:RS51101
|
3.9
|
129.6
|
1.0
|
|
C21
|
E:RS51101
|
4.0
|
141.2
|
1.0
|
|
C23
|
E:RS51101
|
4.0
|
141.6
|
1.0
|
|
CA
|
E:ASN864
|
4.0
|
114.3
|
1.0
|
|
HG
|
E:LEU866
|
4.1
|
117.8
|
0.0
|
|
OD1
|
E:ASN864
|
4.1
|
122.1
|
1.0
|
|
CD2
|
E:LEU866
|
4.1
|
104.0
|
1.0
|
|
H19
|
E:RS51101
|
4.1
|
143.0
|
0.0
|
|
HB1
|
E:ALA876
|
4.2
|
121.6
|
0.0
|
|
C14
|
E:RS51101
|
4.2
|
127.0
|
1.0
|
|
CB
|
E:ALA876
|
4.3
|
101.3
|
1.0
|
|
CB
|
E:ASP877
|
4.3
|
139.5
|
1.0
|
|
CD1
|
E:LEU866
|
4.3
|
101.1
|
1.0
|
|
C
|
E:SER863
|
4.4
|
114.5
|
1.0
|
|
CG
|
E:LEU866
|
4.4
|
98.2
|
1.0
|
|
O
|
E:ASN864
|
4.4
|
107.5
|
1.0
|
|
HD23
|
E:LEU866
|
4.4
|
124.8
|
0.0
|
|
C22
|
E:RS51101
|
4.5
|
140.8
|
1.0
|
|
HB3
|
E:ASP877
|
4.6
|
167.3
|
0.0
|
|
C12
|
E:RS51101
|
4.6
|
125.9
|
1.0
|
|
N2
|
E:RS51101
|
4.6
|
129.1
|
1.0
|
|
C
|
E:ASN864
|
4.6
|
109.5
|
1.0
|
|
N
|
E:ASN864
|
4.6
|
115.7
|
1.0
|
|
H21
|
E:RS51101
|
4.7
|
169.5
|
0.0
|
|
CG
|
E:ASN864
|
4.8
|
120.8
|
1.0
|
|
N
|
E:ASP877
|
4.8
|
126.4
|
1.0
|
|
HZ1
|
E:LYS756
|
4.8
|
150.2
|
0.0
|
|
HD22
|
E:LEU866
|
4.8
|
124.8
|
0.0
|
|
HD12
|
E:LEU866
|
4.8
|
121.3
|
0.0
|
|
H
|
E:ASP877
|
4.9
|
151.7
|
0.0
|
|
C17
|
E:RS51101
|
4.9
|
119.2
|
1.0
|
|
H18
|
E:RS51101
|
4.9
|
143.0
|
0.0
|
|
HB2
|
E:ALA876
|
4.9
|
121.6
|
0.0
|
|
HD13
|
E:LEU866
|
4.9
|
121.3
|
0.0
|
|
C
|
E:ALA876
|
4.9
|
109.1
|
1.0
|
|
CB
|
E:ASN864
|
4.9
|
116.8
|
1.0
|
|
CG
|
E:ASP877
|
5.0
|
148.1
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 8bu7
Go back to
Chlorine Binding Sites List in 8bu7
Chlorine binding site 4 out
of 6 in the Structure of DDB1 Bound to 21195-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 21195-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl1101
b:188.1
occ:1.00
|
CL2
|
E:RS51101
|
0.0
|
188.1
|
1.0
|
|
C23
|
E:RS51101
|
1.8
|
141.6
|
1.0
|
|
C22
|
E:RS51101
|
2.7
|
140.8
|
1.0
|
|
H22
|
E:RS51101
|
2.8
|
169.0
|
0.0
|
|
C18
|
E:RS51101
|
2.8
|
138.8
|
1.0
|
|
HA3
|
E:GLY734
|
2.9
|
141.4
|
0.0
|
|
HG13
|
E:ILE733
|
3.0
|
157.4
|
0.0
|
|
N3
|
E:RS51101
|
3.1
|
131.8
|
1.0
|
|
C13
|
E:RS51101
|
3.2
|
129.6
|
1.0
|
|
N2
|
E:RS51101
|
3.4
|
129.1
|
1.0
|
|
HB
|
E:VAL741
|
3.5
|
128.0
|
0.0
|
|
HD12
|
E:ILE733
|
3.5
|
168.9
|
0.0
|
|
HB
|
E:ILE733
|
3.6
|
159.4
|
0.0
|
|
HG11
|
E:VAL741
|
3.6
|
128.1
|
0.0
|
|
CA
|
E:GLY734
|
3.7
|
117.8
|
1.0
|
|
N
|
E:GLY734
|
3.7
|
117.3
|
1.0
|
|
CG1
|
E:ILE733
|
3.7
|
131.2
|
1.0
|
|
H8
|
E:RS51101
|
3.8
|
159.4
|
0.0
|
|
N4
|
E:RS51101
|
3.8
|
129.9
|
1.0
|
|
HD11
|
E:ILE733
|
3.8
|
168.9
|
0.0
|
|
H
|
E:GLY734
|
3.9
|
140.8
|
0.0
|
|
CD1
|
E:ILE733
|
3.9
|
140.8
|
1.0
|
|
C
|
E:ILE733
|
4.0
|
131.8
|
1.0
|
|
C21
|
E:RS51101
|
4.0
|
141.2
|
1.0
|
|
C19
|
E:RS51101
|
4.1
|
141.9
|
1.0
|
|
CB
|
E:ILE733
|
4.1
|
132.8
|
1.0
|
|
HG21
|
E:VAL741
|
4.2
|
132.3
|
0.0
|
|
C12
|
E:RS51101
|
4.2
|
125.9
|
1.0
|
|
CB
|
E:VAL741
|
4.2
|
106.7
|
1.0
|
|
C7
|
E:RS51101
|
4.2
|
132.8
|
1.0
|
|
CG1
|
E:VAL741
|
4.2
|
106.8
|
1.0
|
|
O
|
E:ILE733
|
4.3
|
135.4
|
1.0
|
|
C10
|
E:RS51101
|
4.3
|
124.5
|
1.0
|
|
HA2
|
E:GLY734
|
4.3
|
141.4
|
0.0
|
|
H12
|
E:RS51101
|
4.4
|
155.9
|
0.0
|
|
HG12
|
E:VAL741
|
4.4
|
128.1
|
0.0
|
|
C14
|
E:RS51101
|
4.5
|
127.0
|
1.0
|
|
H9
|
E:RS51101
|
4.5
|
162.5
|
0.0
|
|
C
|
E:GLY734
|
4.5
|
118.3
|
1.0
|
|
HG12
|
E:ILE733
|
4.5
|
157.4
|
0.0
|
|
C20
|
E:RS51101
|
4.5
|
140.4
|
1.0
|
|
C8
|
E:RS51101
|
4.6
|
135.4
|
1.0
|
|
CG2
|
E:VAL741
|
4.6
|
110.3
|
1.0
|
|
CA
|
E:ILE733
|
4.7
|
133.0
|
1.0
|
|
HG23
|
E:VAL741
|
4.7
|
132.3
|
0.0
|
|
H21
|
E:RS51101
|
4.8
|
169.5
|
0.0
|
|
HD13
|
E:ILE733
|
4.8
|
168.9
|
0.0
|
|
O
|
E:GLY734
|
4.9
|
117.0
|
1.0
|
|
C6
|
E:RS51101
|
4.9
|
125.9
|
1.0
|
|
C11
|
E:RS51101
|
5.0
|
120.9
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 8bu7
Go back to
Chlorine Binding Sites List in 8bu7
Chlorine binding site 5 out
of 6 in the Structure of DDB1 Bound to 21195-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 21195-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl1201
b:202.4
occ:1.00
|
CL1
|
G:RS51201
|
0.0
|
202.4
|
1.0
|
|
C19
|
G:RS51201
|
1.8
|
138.3
|
1.0
|
|
C20
|
G:RS51201
|
2.7
|
136.3
|
1.0
|
|
H20
|
G:RS51201
|
2.8
|
163.6
|
0.0
|
|
C18
|
G:RS51201
|
2.8
|
135.1
|
1.0
|
|
HB3
|
H:ALA876
|
3.1
|
116.0
|
0.0
|
|
N3
|
G:RS51201
|
3.2
|
128.8
|
1.0
|
|
N4
|
G:RS51201
|
3.3
|
127.2
|
1.0
|
|
HD11
|
H:LEU866
|
3.3
|
120.6
|
0.0
|
|
HB2
|
H:ASP877
|
3.4
|
147.3
|
0.0
|
|
H12
|
G:RS51201
|
3.4
|
152.7
|
0.0
|
|
HA
|
H:ASN864
|
3.4
|
124.2
|
0.0
|
|
HD21
|
H:LEU866
|
3.4
|
122.2
|
0.0
|
|
HB1
|
H:ALA876
|
3.5
|
116.0
|
0.0
|
|
CB
|
H:ALA876
|
3.7
|
96.7
|
1.0
|
|
C13
|
G:RS51201
|
4.0
|
126.4
|
1.0
|
|
C21
|
G:RS51201
|
4.0
|
136.9
|
1.0
|
|
C23
|
G:RS51201
|
4.1
|
135.8
|
1.0
|
|
H14
|
G:RS51201
|
4.1
|
139.5
|
0.0
|
|
C14
|
G:RS51201
|
4.2
|
123.6
|
1.0
|
|
OD1
|
H:ASN864
|
4.2
|
112.3
|
1.0
|
|
H
|
H:ASP877
|
4.2
|
134.4
|
0.0
|
|
HG
|
H:LEU866
|
4.2
|
115.4
|
0.0
|
|
O
|
H:SER863
|
4.2
|
102.5
|
1.0
|
|
HZ1
|
H:LYS756
|
4.2
|
144.9
|
0.0
|
|
CD1
|
H:LEU866
|
4.2
|
100.5
|
1.0
|
|
CD2
|
H:LEU866
|
4.3
|
101.8
|
1.0
|
|
HB2
|
H:ALA876
|
4.3
|
116.0
|
0.0
|
|
CB
|
H:ASP877
|
4.4
|
122.7
|
1.0
|
|
N
|
H:ASP877
|
4.4
|
112.0
|
1.0
|
|
CA
|
H:ASN864
|
4.4
|
103.5
|
1.0
|
|
CG
|
H:LEU866
|
4.5
|
96.2
|
1.0
|
|
C22
|
G:RS51201
|
4.5
|
136.7
|
1.0
|
|
O
|
H:ASN864
|
4.6
|
102.1
|
1.0
|
|
H15
|
G:RS51201
|
4.6
|
139.5
|
0.0
|
|
HD23
|
H:LEU866
|
4.6
|
122.2
|
0.0
|
|
C12
|
G:RS51201
|
4.7
|
122.8
|
1.0
|
|
C
|
H:ALA876
|
4.7
|
100.1
|
1.0
|
|
HE3
|
H:LYS756
|
4.7
|
140.6
|
0.0
|
|
C16
|
G:RS51201
|
4.7
|
116.2
|
1.0
|
|
HD12
|
H:LEU866
|
4.7
|
120.6
|
0.0
|
|
H21
|
G:RS51201
|
4.7
|
164.2
|
0.0
|
|
N2
|
G:RS51201
|
4.8
|
125.5
|
1.0
|
|
HZ2
|
H:LYS756
|
4.8
|
144.9
|
0.0
|
|
HD13
|
H:LEU866
|
4.8
|
120.6
|
0.0
|
|
CA
|
H:ALA876
|
4.8
|
97.2
|
1.0
|
|
CA
|
H:ASP877
|
4.9
|
115.6
|
1.0
|
|
HB3
|
H:ASP877
|
4.9
|
147.3
|
0.0
|
|
C
|
H:ASN864
|
4.9
|
101.6
|
1.0
|
|
NZ
|
H:LYS756
|
4.9
|
120.7
|
1.0
|
|
CG
|
H:ASN864
|
4.9
|
111.1
|
1.0
|
|
HA
|
H:ASP877
|
4.9
|
138.7
|
0.0
|
|
HD22
|
H:LEU866
|
5.0
|
122.2
|
0.0
|
|
Chlorine binding site 6 out
of 6 in 8bu7
Go back to
Chlorine Binding Sites List in 8bu7
Chlorine binding site 6 out
of 6 in the Structure of DDB1 Bound to 21195-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 21195-Engaged CDK12-Cyclin K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl1201
b:172.2
occ:1.00
|
CL2
|
G:RS51201
|
0.0
|
172.2
|
1.0
|
|
C23
|
G:RS51201
|
1.8
|
135.8
|
1.0
|
|
C18
|
G:RS51201
|
2.7
|
135.1
|
1.0
|
|
C22
|
G:RS51201
|
2.7
|
136.7
|
1.0
|
|
H22
|
G:RS51201
|
2.8
|
164.0
|
0.0
|
|
N3
|
G:RS51201
|
2.9
|
128.8
|
1.0
|
|
C13
|
G:RS51201
|
3.0
|
126.4
|
1.0
|
|
N2
|
G:RS51201
|
3.1
|
125.5
|
1.0
|
|
HA3
|
H:GLY734
|
3.2
|
125.7
|
0.0
|
|
HG13
|
H:ILE733
|
3.2
|
135.8
|
0.0
|
|
H8
|
G:RS51201
|
3.3
|
156.3
|
0.0
|
|
HB
|
H:ILE733
|
3.4
|
139.3
|
0.0
|
|
HD12
|
H:ILE733
|
3.5
|
143.9
|
0.0
|
|
HG11
|
H:VAL741
|
3.5
|
127.2
|
0.0
|
|
HB
|
H:VAL741
|
3.7
|
126.3
|
0.0
|
|
N4
|
G:RS51201
|
3.8
|
127.2
|
1.0
|
|
C7
|
G:RS51201
|
3.8
|
130.2
|
1.0
|
|
CG1
|
H:ILE733
|
3.8
|
113.1
|
1.0
|
|
H12
|
G:RS51201
|
3.9
|
152.7
|
0.0
|
|
N
|
H:GLY734
|
3.9
|
104.6
|
1.0
|
|
HD11
|
H:ILE733
|
3.9
|
143.9
|
0.0
|
|
CD1
|
H:ILE733
|
3.9
|
119.9
|
1.0
|
|
CA
|
H:GLY734
|
4.0
|
104.8
|
1.0
|
|
C12
|
G:RS51201
|
4.0
|
122.8
|
1.0
|
|
C19
|
G:RS51201
|
4.0
|
138.3
|
1.0
|
|
C10
|
G:RS51201
|
4.0
|
122.0
|
1.0
|
|
C21
|
G:RS51201
|
4.0
|
136.9
|
1.0
|
|
H9
|
G:RS51201
|
4.1
|
148.9
|
0.0
|
|
CB
|
H:ILE733
|
4.1
|
116.1
|
1.0
|
|
C
|
H:ILE733
|
4.1
|
114.1
|
1.0
|
|
C8
|
G:RS51201
|
4.1
|
124.1
|
1.0
|
|
H
|
H:GLY734
|
4.2
|
125.6
|
0.0
|
|
HG21
|
H:VAL741
|
4.2
|
131.7
|
0.0
|
|
CG1
|
H:VAL741
|
4.2
|
106.0
|
1.0
|
|
CB
|
H:VAL741
|
4.3
|
105.2
|
1.0
|
|
O
|
H:ILE733
|
4.3
|
117.2
|
1.0
|
|
C14
|
G:RS51201
|
4.4
|
123.6
|
1.0
|
|
HG12
|
H:VAL741
|
4.4
|
127.2
|
0.0
|
|
C6
|
G:RS51201
|
4.5
|
123.7
|
1.0
|
|
C20
|
G:RS51201
|
4.6
|
136.3
|
1.0
|
|
HA2
|
H:GLY734
|
4.6
|
125.7
|
0.0
|
|
HG12
|
H:ILE733
|
4.7
|
135.8
|
0.0
|
|
CG2
|
H:VAL741
|
4.7
|
109.8
|
1.0
|
|
CA
|
H:ILE733
|
4.7
|
114.5
|
1.0
|
|
H21
|
G:RS51201
|
4.8
|
164.2
|
0.0
|
|
C9
|
G:RS51201
|
4.8
|
122.5
|
1.0
|
|
C11
|
G:RS51201
|
4.8
|
119.3
|
1.0
|
|
N1
|
G:RS51201
|
4.9
|
119.6
|
1.0
|
|
C
|
H:GLY734
|
4.9
|
107.2
|
1.0
|
|
HD13
|
H:ILE733
|
4.9
|
143.9
|
0.0
|
|
H10
|
G:RS51201
|
4.9
|
147.0
|
0.0
|
|
HG23
|
H:VAL741
|
5.0
|
131.7
|
0.0
|
|
Reference:
Z.Kozicka,
G.Kempf,
G.Petzold,
N.H.Thoma.
Structure of DDB1 Bound to DS06-Engaged CDK12-Cyclin K To Be Published.
Page generated: Tue Jul 30 07:26:24 2024
|
