Zinc in PDB 2pvc: DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
Protein crystallography data
The structure of DNMT3L Recognizes Unmethylated Histone H3 Lysine 4, PDB code: 2pvc
was solved by
X.Cheng,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
34.41 /
3.69
|
Space group
|
P 61 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
267.700,
267.700,
150.000,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
26.4 /
30.2
|
Zinc Binding Sites:
The binding sites of Zinc atom in the DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
(pdb code 2pvc). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 9 binding sites of Zinc where determined in the
DNMT3L Recognizes Unmethylated Histone H3 Lysine 4, PDB code: 2pvc:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Zinc binding site 1 out
of 9 in 2pvc
Go back to
Zinc Binding Sites List in 2pvc
Zinc binding site 1 out
of 9 in the DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of DNMT3L Recognizes Unmethylated Histone H3 Lysine 4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn602
b:58.3
occ:0.41
|
SG
|
A:CYS121
|
2.3
|
0.4
|
1.0
|
SG
|
A:CYS99
|
2.4
|
85.5
|
1.0
|
SG
|
A:CYS96
|
2.6
|
0.0
|
1.0
|
SG
|
A:CYS118
|
2.6
|
0.1
|
1.0
|
CB
|
A:CYS118
|
2.6
|
98.3
|
1.0
|
N
|
A:CYS118
|
3.2
|
0.2
|
1.0
|
CB
|
A:CYS121
|
3.2
|
0.7
|
1.0
|
CA
|
A:CYS118
|
3.5
|
1.0
|
1.0
|
N
|
A:CYS99
|
3.6
|
0.1
|
1.0
|
CB
|
A:ILE98
|
3.7
|
0.3
|
1.0
|
CB
|
A:CYS96
|
3.7
|
0.5
|
1.0
|
CB
|
A:CYS99
|
3.9
|
0.4
|
1.0
|
N
|
A:ILE98
|
4.2
|
0.8
|
1.0
|
CA
|
A:ILE98
|
4.3
|
0.7
|
1.0
|
CA
|
A:CYS99
|
4.4
|
0.4
|
1.0
|
C
|
A:TYR117
|
4.4
|
0.2
|
1.0
|
CG1
|
A:ILE98
|
4.4
|
0.6
|
1.0
|
C
|
A:ILE98
|
4.4
|
0.8
|
1.0
|
CA
|
A:CYS121
|
4.5
|
0.3
|
1.0
|
C
|
A:CYS118
|
4.6
|
0.2
|
1.0
|
N
|
A:CYS121
|
4.6
|
0.9
|
1.0
|
CG2
|
A:ILE98
|
4.6
|
0.7
|
1.0
|
O
|
A:CYS118
|
4.7
|
0.6
|
1.0
|
CD1
|
A:ILE98
|
4.7
|
92.6
|
1.0
|
CA
|
A:TYR117
|
4.7
|
0.6
|
1.0
|
O
|
A:SER101
|
4.9
|
0.6
|
1.0
|
|
Zinc binding site 2 out
of 9 in 2pvc
Go back to
Zinc Binding Sites List in 2pvc
Zinc binding site 2 out
of 9 in the DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of DNMT3L Recognizes Unmethylated Histone H3 Lysine 4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn603
b:0.0
occ:0.92
|
SG
|
A:CYS113
|
2.4
|
0.3
|
1.0
|
SG
|
A:CYS108
|
2.4
|
88.6
|
1.0
|
SG
|
A:CYS145
|
2.4
|
0.9
|
1.0
|
SG
|
A:CYS142
|
2.5
|
96.7
|
1.0
|
CB
|
A:CYS113
|
2.8
|
0.1
|
1.0
|
CB
|
A:CYS142
|
3.5
|
0.7
|
1.0
|
CB
|
A:CYS108
|
3.5
|
0.7
|
1.0
|
N
|
A:CYS142
|
3.8
|
0.2
|
1.0
|
CB
|
A:CYS145
|
3.8
|
0.8
|
1.0
|
CA
|
A:CYS142
|
4.2
|
0.3
|
1.0
|
CB
|
A:ASN110
|
4.3
|
0.3
|
1.0
|
CA
|
A:CYS113
|
4.3
|
0.0
|
1.0
|
C
|
A:VAL141
|
4.8
|
0.7
|
1.0
|
CA
|
A:CYS145
|
4.9
|
0.9
|
1.0
|
N
|
A:CYS145
|
4.9
|
0.5
|
1.0
|
CA
|
A:CYS108
|
4.9
|
1.0
|
1.0
|
CA
|
A:VAL141
|
5.0
|
0.3
|
1.0
|
|
Zinc binding site 3 out
of 9 in 2pvc
Go back to
Zinc Binding Sites List in 2pvc
Zinc binding site 3 out
of 9 in the DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of DNMT3L Recognizes Unmethylated Histone H3 Lysine 4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn601
b:0.5
occ:0.85
|
SG
|
A:CYS53
|
2.2
|
96.7
|
1.0
|
SG
|
A:CYS73
|
2.5
|
0.5
|
1.0
|
SG
|
A:CYS56
|
2.5
|
0.2
|
1.0
|
SG
|
A:CYS76
|
2.6
|
0.6
|
1.0
|
CB
|
A:CYS53
|
2.8
|
99.4
|
1.0
|
CB
|
A:CYS73
|
2.9
|
0.5
|
1.0
|
CB
|
A:CYS76
|
3.0
|
0.5
|
1.0
|
N
|
A:CYS73
|
3.1
|
0.1
|
1.0
|
CA
|
A:CYS73
|
3.6
|
0.7
|
1.0
|
CB
|
A:CYS56
|
4.0
|
0.0
|
1.0
|
N
|
A:CYS56
|
4.0
|
0.3
|
1.0
|
C
|
A:ILE72
|
4.3
|
0.7
|
1.0
|
CA
|
A:CYS53
|
4.3
|
0.4
|
1.0
|
CA
|
A:CYS76
|
4.3
|
0.1
|
1.0
|
C
|
A:CYS73
|
4.4
|
0.5
|
1.0
|
O
|
A:CYS73
|
4.4
|
90.7
|
1.0
|
N
|
A:CYS76
|
4.5
|
0.1
|
1.0
|
CB
|
A:CYS55
|
4.5
|
0.5
|
1.0
|
CA
|
A:CYS56
|
4.5
|
0.2
|
1.0
|
CA
|
A:ILE72
|
4.6
|
0.2
|
1.0
|
CB
|
A:SER58
|
4.6
|
0.3
|
1.0
|
O
|
A:CYS53
|
4.8
|
0.1
|
1.0
|
N
|
A:GLY57
|
4.8
|
0.2
|
1.0
|
C
|
A:CYS53
|
4.9
|
0.1
|
1.0
|
CG2
|
A:ILE72
|
4.9
|
0.9
|
1.0
|
N
|
A:SER58
|
5.0
|
0.8
|
1.0
|
|
Zinc binding site 4 out
of 9 in 2pvc
Go back to
Zinc Binding Sites List in 2pvc
Zinc binding site 4 out
of 9 in the DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of DNMT3L Recognizes Unmethylated Histone H3 Lysine 4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn605
b:14.4
occ:0.41
|
SG
|
B:CYS121
|
2.1
|
55.0
|
1.0
|
SG
|
B:CYS99
|
2.2
|
59.1
|
1.0
|
SG
|
B:CYS118
|
2.3
|
73.0
|
1.0
|
SG
|
B:CYS96
|
2.3
|
72.8
|
1.0
|
CB
|
B:CYS118
|
2.4
|
66.4
|
1.0
|
CB
|
B:CYS121
|
2.7
|
56.5
|
1.0
|
CB
|
B:CYS99
|
3.0
|
75.6
|
1.0
|
CB
|
B:CYS96
|
3.2
|
68.7
|
1.0
|
CA
|
B:CYS118
|
3.7
|
88.6
|
1.0
|
N
|
B:CYS99
|
3.7
|
62.7
|
1.0
|
CA
|
B:CYS121
|
3.9
|
64.9
|
1.0
|
CA
|
B:CYS99
|
3.9
|
78.2
|
1.0
|
N
|
B:CYS118
|
4.0
|
92.4
|
1.0
|
N
|
B:CYS121
|
4.1
|
68.7
|
1.0
|
O
|
B:CYS118
|
4.1
|
92.6
|
1.0
|
C
|
B:CYS118
|
4.2
|
91.7
|
1.0
|
NH2
|
B:ARG35
|
4.3
|
0.8
|
1.0
|
CB
|
B:SER101
|
4.5
|
0.7
|
1.0
|
CA
|
B:CYS96
|
4.7
|
67.3
|
1.0
|
C
|
B:CYS99
|
4.7
|
94.8
|
1.0
|
CB
|
B:ILE98
|
4.7
|
64.5
|
1.0
|
C
|
B:ILE98
|
4.8
|
66.5
|
1.0
|
N
|
B:CYS100
|
4.9
|
0.4
|
1.0
|
N
|
B:SER101
|
4.9
|
0.1
|
1.0
|
|
Zinc binding site 5 out
of 9 in 2pvc
Go back to
Zinc Binding Sites List in 2pvc
Zinc binding site 5 out
of 9 in the DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of DNMT3L Recognizes Unmethylated Histone H3 Lysine 4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn606
b:71.6
occ:0.92
|
SG
|
B:CYS113
|
2.2
|
70.0
|
1.0
|
SG
|
B:CYS142
|
2.2
|
62.7
|
1.0
|
SG
|
B:CYS145
|
2.2
|
58.3
|
1.0
|
SG
|
B:CYS108
|
2.4
|
68.9
|
1.0
|
CB
|
B:CYS113
|
2.7
|
65.7
|
1.0
|
CB
|
B:CYS145
|
3.3
|
62.6
|
1.0
|
CB
|
B:CYS108
|
3.4
|
63.3
|
1.0
|
CB
|
B:CYS142
|
3.6
|
64.1
|
1.0
|
N
|
B:CYS142
|
4.0
|
69.4
|
1.0
|
CA
|
B:CYS113
|
4.1
|
77.0
|
1.0
|
CA
|
B:CYS142
|
4.4
|
65.3
|
1.0
|
O
|
B:LEU144
|
4.4
|
92.1
|
1.0
|
CA
|
B:CYS145
|
4.5
|
76.3
|
1.0
|
CB
|
B:ASN110
|
4.6
|
0.1
|
1.0
|
C
|
B:LEU144
|
4.7
|
78.9
|
1.0
|
N
|
B:CYS145
|
4.8
|
74.6
|
1.0
|
CA
|
B:CYS108
|
4.8
|
67.7
|
1.0
|
N
|
B:CYS113
|
4.9
|
93.7
|
1.0
|
C
|
B:CYS113
|
5.0
|
77.7
|
1.0
|
|
Zinc binding site 6 out
of 9 in 2pvc
Go back to
Zinc Binding Sites List in 2pvc
Zinc binding site 6 out
of 9 in the DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of DNMT3L Recognizes Unmethylated Histone H3 Lysine 4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn604
b:61.6
occ:0.85
|
SG
|
B:CYS53
|
2.2
|
69.1
|
1.0
|
SG
|
B:CYS56
|
2.3
|
100.0
|
1.0
|
SG
|
B:CYS76
|
2.3
|
81.7
|
1.0
|
SG
|
B:CYS73
|
2.7
|
0.3
|
1.0
|
CB
|
B:CYS73
|
3.0
|
0.5
|
1.0
|
CB
|
B:CYS53
|
3.1
|
40.2
|
1.0
|
CB
|
B:CYS76
|
3.1
|
0.1
|
1.0
|
CB
|
B:CYS56
|
3.4
|
99.5
|
1.0
|
N
|
B:CYS56
|
3.5
|
1.0
|
1.0
|
N
|
B:CYS73
|
3.7
|
86.6
|
1.0
|
CA
|
B:CYS73
|
3.9
|
96.0
|
1.0
|
CA
|
B:CYS56
|
4.0
|
99.2
|
1.0
|
CB
|
B:CYS55
|
4.1
|
0.4
|
1.0
|
CB
|
B:SER58
|
4.4
|
87.0
|
1.0
|
CA
|
B:CYS76
|
4.4
|
0.7
|
1.0
|
C
|
B:CYS56
|
4.4
|
0.5
|
1.0
|
O
|
B:CYS53
|
4.4
|
64.5
|
1.0
|
CA
|
B:CYS53
|
4.5
|
54.3
|
1.0
|
C
|
B:CYS55
|
4.6
|
98.8
|
1.0
|
N
|
B:CYS76
|
4.6
|
0.9
|
1.0
|
C
|
B:CYS73
|
4.6
|
95.0
|
1.0
|
O
|
B:CYS73
|
4.7
|
88.1
|
1.0
|
N
|
B:SER58
|
4.8
|
98.7
|
1.0
|
CA
|
B:CYS55
|
4.8
|
93.5
|
1.0
|
C
|
B:CYS53
|
4.8
|
49.7
|
1.0
|
O
|
B:CYS56
|
4.8
|
99.8
|
1.0
|
C
|
B:ILE72
|
4.9
|
69.5
|
1.0
|
N
|
B:GLY57
|
4.9
|
0.8
|
1.0
|
N
|
B:CYS55
|
5.0
|
66.0
|
1.0
|
|
Zinc binding site 7 out
of 9 in 2pvc
Go back to
Zinc Binding Sites List in 2pvc
Zinc binding site 7 out
of 9 in the DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of DNMT3L Recognizes Unmethylated Histone H3 Lysine 4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn608
b:69.1
occ:0.41
|
SG
|
C:CYS96
|
2.4
|
0.5
|
1.0
|
SG
|
C:CYS121
|
2.5
|
0.0
|
1.0
|
SG
|
C:CYS99
|
2.6
|
59.1
|
1.0
|
CB
|
C:CYS121
|
2.6
|
0.7
|
1.0
|
CB
|
C:CYS118
|
3.2
|
0.3
|
1.0
|
SG
|
C:CYS118
|
3.2
|
0.9
|
1.0
|
N
|
C:CYS118
|
3.3
|
0.8
|
1.0
|
CB
|
C:CYS96
|
3.6
|
0.5
|
1.0
|
CB
|
C:ILE98
|
3.8
|
0.2
|
1.0
|
CA
|
C:CYS118
|
3.9
|
0.4
|
1.0
|
N
|
C:CYS99
|
4.0
|
62.7
|
1.0
|
CB
|
C:CYS99
|
4.0
|
75.6
|
1.0
|
CA
|
C:CYS121
|
4.1
|
0.8
|
1.0
|
N
|
C:ILE98
|
4.4
|
0.8
|
1.0
|
C
|
C:TYR117
|
4.4
|
0.4
|
1.0
|
NH2
|
C:ARG35
|
4.4
|
0.6
|
1.0
|
N
|
C:CYS121
|
4.5
|
0.2
|
1.0
|
CA
|
C:ILE98
|
4.5
|
1.0
|
1.0
|
CA
|
C:TYR117
|
4.5
|
0.9
|
1.0
|
CD1
|
C:ILE98
|
4.5
|
0.3
|
1.0
|
CB
|
C:TYR117
|
4.6
|
0.6
|
1.0
|
CG2
|
C:ILE98
|
4.6
|
0.7
|
1.0
|
CG1
|
C:ILE98
|
4.6
|
0.8
|
1.0
|
C
|
C:ILE98
|
4.6
|
0.6
|
1.0
|
CA
|
C:CYS99
|
4.6
|
78.2
|
1.0
|
C
|
C:CYS118
|
4.8
|
0.5
|
1.0
|
CA
|
C:CYS96
|
4.9
|
0.1
|
1.0
|
|
Zinc binding site 8 out
of 9 in 2pvc
Go back to
Zinc Binding Sites List in 2pvc
Zinc binding site 8 out
of 9 in the DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of DNMT3L Recognizes Unmethylated Histone H3 Lysine 4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn609
b:0.9
occ:0.92
|
SG
|
C:CYS113
|
2.4
|
1.0
|
1.0
|
SG
|
C:CYS142
|
2.5
|
0.2
|
1.0
|
CB
|
C:CYS145
|
2.8
|
0.2
|
1.0
|
SG
|
C:CYS145
|
2.8
|
0.6
|
1.0
|
SG
|
C:CYS108
|
3.0
|
0.9
|
1.0
|
CB
|
C:CYS142
|
3.2
|
0.1
|
1.0
|
CB
|
C:CYS113
|
3.3
|
0.9
|
1.0
|
CB
|
C:CYS108
|
3.5
|
0.2
|
1.0
|
N
|
C:CYS145
|
3.6
|
0.5
|
1.0
|
CA
|
C:CYS145
|
3.7
|
0.1
|
1.0
|
OH
|
C:TYR117
|
4.2
|
0.6
|
1.0
|
N
|
C:CYS142
|
4.3
|
0.3
|
1.0
|
CA
|
C:CYS142
|
4.3
|
0.2
|
1.0
|
CB
|
C:ARG115
|
4.4
|
0.6
|
1.0
|
CG
|
C:ARG115
|
4.5
|
0.2
|
1.0
|
CD
|
C:ARG115
|
4.6
|
0.8
|
1.0
|
CA
|
C:CYS113
|
4.7
|
0.1
|
1.0
|
C
|
C:LEU144
|
4.8
|
0.8
|
1.0
|
N
|
C:ARG115
|
4.9
|
0.9
|
1.0
|
C
|
C:CYS142
|
5.0
|
0.1
|
1.0
|
|
Zinc binding site 9 out
of 9 in 2pvc
Go back to
Zinc Binding Sites List in 2pvc
Zinc binding site 9 out
of 9 in the DNMT3L Recognizes Unmethylated Histone H3 Lysine 4
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 9 of DNMT3L Recognizes Unmethylated Histone H3 Lysine 4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn607
b:0.3
occ:0.85
|
SG
|
C:CYS76
|
2.6
|
0.2
|
1.0
|
CB
|
C:CYS56
|
2.7
|
0.1
|
1.0
|
SG
|
C:CYS73
|
2.8
|
0.4
|
1.0
|
SG
|
C:CYS53
|
3.2
|
0.2
|
1.0
|
SG
|
C:CYS56
|
3.7
|
0.5
|
1.0
|
CB
|
C:CYS76
|
3.9
|
0.6
|
1.0
|
CA
|
C:CYS56
|
4.0
|
0.2
|
1.0
|
N
|
C:CYS76
|
4.0
|
0.0
|
1.0
|
N
|
C:CYS56
|
4.0
|
1.0
|
1.0
|
CB
|
C:PRO75
|
4.3
|
0.0
|
1.0
|
CB
|
C:CYS53
|
4.4
|
0.4
|
1.0
|
CB
|
C:SER58
|
4.5
|
0.8
|
1.0
|
CA
|
C:CYS76
|
4.5
|
0.7
|
1.0
|
CB
|
C:CYS73
|
4.6
|
0.0
|
1.0
|
CD
|
C:PRO75
|
4.6
|
0.0
|
1.0
|
CG
|
C:PRO75
|
4.7
|
0.0
|
1.0
|
C
|
C:CYS56
|
4.9
|
0.0
|
1.0
|
|
Reference:
S.K.Ooi,
C.Qiu,
E.Bernstein,
K.Li,
D.Jia,
Z.Yang,
H.Erdjument-Bromage,
P.Tempst,
S.P.Lin,
C.D.Allis,
X.Cheng,
T.H.Bestor.
DNMT3L Connects Unmethylated Lysine 4 of Histone H3 to De Novo Methylation of Dna. Nature V. 448 714 2007.
ISSN: ISSN 0028-0836
PubMed: 17687327
DOI: 10.1038/NATURE05987
Page generated: Thu Oct 17 03:14:17 2024
|