Zinc in PDB 6wzw: ASH1L Set Domain in Complex with As-85
Enzymatic activity of ASH1L Set Domain in Complex with As-85
All present enzymatic activity of ASH1L Set Domain in Complex with As-85:
2.1.1.359;
Protein crystallography data
The structure of ASH1L Set Domain in Complex with As-85, PDB code: 6wzw
was solved by
H.Li,
J.Deng,
T.Cierpicki,
J.Grembecka,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
37.33 /
1.69
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
76.277,
31.998,
91.16,
90,
102.34,
90
|
R / Rfree (%)
|
16.4 /
20.6
|
Other elements in 6wzw:
The structure of ASH1L Set Domain in Complex with As-85 also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the ASH1L Set Domain in Complex with As-85
(pdb code 6wzw). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the
ASH1L Set Domain in Complex with As-85, PDB code: 6wzw:
Jump to Zinc binding site number:
1;
2;
3;
Zinc binding site 1 out
of 3 in 6wzw
Go back to
Zinc Binding Sites List in 6wzw
Zinc binding site 1 out
of 3 in the ASH1L Set Domain in Complex with As-85
![](/pictures/ZN/pdb/wz/6wzw-ZN-sphere_01.jpg) Mono view
![](/pictures/ZN/pdb/wz/6wzw-ZN-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of ASH1L Set Domain in Complex with As-85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn2303
b:13.5
occ:1.00
|
SG
|
A:CYS2108
|
2.3
|
14.2
|
1.0
|
SG
|
A:CYS2091
|
2.3
|
13.9
|
1.0
|
SG
|
A:CYS2093
|
2.4
|
14.9
|
1.0
|
SG
|
A:CYS2104
|
2.4
|
15.0
|
1.0
|
CB
|
A:CYS2108
|
3.1
|
17.1
|
1.0
|
CB
|
A:CYS2093
|
3.2
|
9.2
|
1.0
|
CB
|
A:CYS2104
|
3.2
|
10.7
|
1.0
|
CB
|
A:CYS2091
|
3.3
|
13.9
|
1.0
|
CA
|
A:CYS2104
|
3.6
|
13.4
|
1.0
|
CA
|
A:CYS2108
|
3.8
|
14.6
|
1.0
|
ZN
|
A:ZN2304
|
3.9
|
13.9
|
1.0
|
SG
|
A:CYS2117
|
4.2
|
14.0
|
1.0
|
O
|
A:HOH2563
|
4.2
|
17.0
|
1.0
|
N
|
A:CYS2093
|
4.3
|
14.0
|
1.0
|
CA
|
A:CYS2093
|
4.3
|
12.7
|
1.0
|
N
|
A:CYS2104
|
4.5
|
16.8
|
1.0
|
C
|
A:CYS2108
|
4.6
|
15.9
|
1.0
|
CA
|
A:CYS2091
|
4.7
|
15.7
|
1.0
|
N
|
A:LEU2109
|
4.7
|
14.9
|
1.0
|
O
|
A:HOH2591
|
4.7
|
15.7
|
1.0
|
C
|
A:CYS2104
|
4.7
|
20.1
|
1.0
|
N
|
A:ASN2092
|
5.0
|
18.6
|
1.0
|
|
Zinc binding site 2 out
of 3 in 6wzw
Go back to
Zinc Binding Sites List in 6wzw
Zinc binding site 2 out
of 3 in the ASH1L Set Domain in Complex with As-85
![](/pictures/ZN/pdb/wz/6wzw-ZN-sphere_02.jpg) Mono view
![](/pictures/ZN/pdb/wz/6wzw-ZN-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of ASH1L Set Domain in Complex with As-85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn2304
b:13.9
occ:1.00
|
SG
|
A:CYS2122
|
2.2
|
13.2
|
1.0
|
SG
|
A:CYS2128
|
2.3
|
12.7
|
1.0
|
SG
|
A:CYS2104
|
2.3
|
15.0
|
1.0
|
SG
|
A:CYS2117
|
2.4
|
14.0
|
1.0
|
CB
|
A:CYS2117
|
3.1
|
15.7
|
1.0
|
CB
|
A:CYS2104
|
3.3
|
10.7
|
1.0
|
CB
|
A:CYS2128
|
3.3
|
11.6
|
1.0
|
CB
|
A:CYS2122
|
3.4
|
11.5
|
1.0
|
ZN
|
A:ZN2303
|
3.9
|
13.5
|
1.0
|
O
|
A:HOH2591
|
4.1
|
15.7
|
1.0
|
CA
|
A:CYS2128
|
4.3
|
12.9
|
1.0
|
NE2
|
A:GLN2131
|
4.5
|
15.5
|
1.0
|
SG
|
A:CYS2091
|
4.5
|
13.9
|
1.0
|
CB
|
A:ASN2130
|
4.6
|
12.8
|
1.0
|
CA
|
A:CYS2122
|
4.6
|
12.3
|
1.0
|
CA
|
A:CYS2117
|
4.6
|
14.7
|
1.0
|
CB
|
A:CYS2124
|
4.7
|
13.3
|
1.0
|
SG
|
A:CYS2108
|
4.7
|
14.2
|
1.0
|
CA
|
A:CYS2104
|
4.7
|
13.4
|
1.0
|
|
Zinc binding site 3 out
of 3 in 6wzw
Go back to
Zinc Binding Sites List in 6wzw
Zinc binding site 3 out
of 3 in the ASH1L Set Domain in Complex with As-85
![](/pictures/ZN/pdb/wz/6wzw-ZN-sphere_03.jpg) Mono view
![](/pictures/ZN/pdb/wz/6wzw-ZN-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of ASH1L Set Domain in Complex with As-85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn2305
b:15.9
occ:1.00
|
SG
|
A:CYS2268
|
2.3
|
15.1
|
1.0
|
SG
|
A:CYS2275
|
2.3
|
14.1
|
1.0
|
SG
|
A:CYS2270
|
2.4
|
15.9
|
1.0
|
SG
|
A:CYS2220
|
2.4
|
16.9
|
1.0
|
CB
|
A:CYS2275
|
3.2
|
15.7
|
1.0
|
CB
|
A:CYS2268
|
3.3
|
17.1
|
1.0
|
CB
|
A:CYS2270
|
3.3
|
15.0
|
1.0
|
CB
|
A:CYS2220
|
3.4
|
10.4
|
1.0
|
CA
|
A:CYS2275
|
3.6
|
15.3
|
1.0
|
N
|
A:CYS2220
|
3.9
|
13.5
|
1.0
|
N
|
A:CYS2270
|
4.0
|
15.2
|
1.0
|
N
|
A:ARG2276
|
4.1
|
19.2
|
1.0
|
CA
|
A:CYS2270
|
4.2
|
17.6
|
1.0
|
C
|
A:CYS2275
|
4.3
|
22.7
|
1.0
|
CA
|
A:CYS2220
|
4.3
|
10.9
|
1.0
|
O
|
A:HOH2568
|
4.4
|
17.4
|
1.0
|
CA
|
A:CYS2268
|
4.5
|
14.6
|
1.0
|
NE2
|
A:HIS2218
|
4.5
|
13.3
|
1.0
|
C
|
A:CYS2268
|
4.5
|
17.5
|
1.0
|
CD2
|
A:HIS2218
|
4.6
|
12.2
|
1.0
|
O
|
A:CYS2268
|
4.6
|
16.2
|
1.0
|
N
|
A:GLY2277
|
4.7
|
18.2
|
1.0
|
N
|
A:CYS2275
|
4.8
|
16.2
|
1.0
|
C
|
A:SER2219
|
4.9
|
11.2
|
1.0
|
C
|
A:CYS2270
|
5.0
|
16.8
|
1.0
|
N
|
A:GLY2271
|
5.0
|
17.0
|
1.0
|
N
|
A:LYS2269
|
5.0
|
12.6
|
1.0
|
|
Reference:
H.Li,
J.Grembecka,
T.Cierpicki.
ASH1L Set Domain in Complex with As-85 To Be Published.
Page generated: Sat Apr 17 17:43:11 2021
|