Chlorine in PDB 8d58: Crystal Structure of Human METTL1-WDR4 Complex
Enzymatic activity of Crystal Structure of Human METTL1-WDR4 Complex
All present enzymatic activity of Crystal Structure of Human METTL1-WDR4 Complex:
2.1.1.33;
Protein crystallography data
The structure of Crystal Structure of Human METTL1-WDR4 Complex, PDB code: 8d58
was solved by
R.Raj,
K.Babu,
Y.Nam,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.71 /
2.47
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
79.495,
91.113,
122.83,
90,
90,
90
|
R / Rfree (%)
|
20.3 /
22.9
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human METTL1-WDR4 Complex
(pdb code 8d58). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Crystal Structure of Human METTL1-WDR4 Complex, PDB code: 8d58:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 8d58
Go back to
Chlorine Binding Sites List in 8d58
Chlorine binding site 1 out
of 6 in the Crystal Structure of Human METTL1-WDR4 Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Human METTL1-WDR4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl301
b:77.9
occ:1.00
|
OG1
|
A:THR238
|
3.0
|
116.4
|
1.0
|
N
|
A:GLY89
|
3.2
|
71.1
|
1.0
|
N
|
A:TYR87
|
3.4
|
70.6
|
1.0
|
N
|
A:GLU239
|
3.4
|
70.9
|
1.0
|
CA
|
A:GLY89
|
3.7
|
58.2
|
1.0
|
CA
|
A:THR238
|
3.7
|
72.2
|
1.0
|
N
|
A:GLY88
|
3.8
|
68.9
|
1.0
|
C
|
A:TYR87
|
3.8
|
67.6
|
1.0
|
CA
|
A:TYR87
|
3.8
|
64.8
|
1.0
|
CB
|
A:TYR87
|
3.8
|
62.9
|
1.0
|
CB
|
A:THR238
|
4.0
|
59.3
|
1.0
|
C
|
A:THR238
|
4.1
|
74.8
|
1.0
|
O
|
A:CYS85
|
4.1
|
87.5
|
1.0
|
CB
|
A:GLU239
|
4.1
|
87.7
|
1.0
|
CG
|
A:GLU239
|
4.3
|
111.9
|
1.0
|
C
|
A:GLY88
|
4.3
|
70.8
|
1.0
|
C
|
A:GLY86
|
4.3
|
69.4
|
1.0
|
CA
|
A:GLU239
|
4.4
|
81.3
|
1.0
|
O
|
A:TYR87
|
4.5
|
75.0
|
1.0
|
CA
|
A:GLY86
|
4.5
|
61.9
|
1.0
|
CA
|
A:GLY88
|
4.6
|
65.6
|
1.0
|
CD2
|
A:TYR87
|
4.7
|
71.5
|
1.0
|
O
|
A:SER237
|
4.8
|
76.6
|
1.0
|
CG
|
A:TYR87
|
4.8
|
69.9
|
1.0
|
C
|
A:GLY89
|
4.9
|
67.7
|
1.0
|
CD
|
A:GLU239
|
5.0
|
126.3
|
1.0
|
N
|
A:THR238
|
5.0
|
71.0
|
1.0
|
N
|
A:LEU90
|
5.0
|
66.9
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 8d58
Go back to
Chlorine Binding Sites List in 8d58
Chlorine binding site 2 out
of 6 in the Crystal Structure of Human METTL1-WDR4 Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Human METTL1-WDR4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl302
b:88.4
occ:1.00
|
O
|
B:HOH503
|
3.2
|
59.0
|
1.0
|
OE2
|
A:GLU42
|
3.8
|
94.7
|
1.0
|
O
|
B:PHE183
|
4.0
|
55.8
|
1.0
|
OE1
|
A:GLU42
|
4.1
|
83.6
|
1.0
|
CD
|
A:PRO41
|
4.2
|
72.3
|
1.0
|
O
|
A:HOH404
|
4.4
|
56.8
|
1.0
|
CD
|
A:GLU42
|
4.4
|
87.7
|
1.0
|
CD1
|
B:LEU185
|
4.4
|
43.8
|
1.0
|
O
|
B:GLY221
|
4.5
|
58.7
|
1.0
|
CE
|
A:LYS40
|
4.6
|
88.4
|
1.0
|
CG
|
A:PRO41
|
4.7
|
72.7
|
1.0
|
OH
|
A:TYR186
|
4.8
|
68.7
|
1.0
|
O
|
B:SER220
|
4.9
|
59.9
|
1.0
|
CG
|
B:LEU185
|
5.0
|
50.7
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 8d58
Go back to
Chlorine Binding Sites List in 8d58
Chlorine binding site 3 out
of 6 in the Crystal Structure of Human METTL1-WDR4 Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Human METTL1-WDR4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl401
b:92.6
occ:1.00
|
O
|
B:CYS95
|
3.8
|
62.5
|
1.0
|
O
|
B:HOH529
|
4.0
|
64.8
|
1.0
|
O
|
B:LEU96
|
4.0
|
57.3
|
1.0
|
SG
|
B:CYS95
|
4.1
|
71.8
|
1.0
|
CA
|
B:SER97
|
4.3
|
62.0
|
1.0
|
C
|
B:LEU96
|
4.4
|
53.0
|
1.0
|
N
|
B:SER97
|
4.5
|
52.9
|
1.0
|
C
|
B:CYS95
|
4.5
|
58.3
|
1.0
|
CB
|
B:CYS95
|
4.6
|
44.0
|
1.0
|
CG2
|
B:VAL98
|
4.7
|
40.4
|
1.0
|
C
|
B:SER97
|
4.8
|
52.8
|
1.0
|
N
|
B:VAL98
|
4.8
|
57.7
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 8d58
Go back to
Chlorine Binding Sites List in 8d58
Chlorine binding site 4 out
of 6 in the Crystal Structure of Human METTL1-WDR4 Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Human METTL1-WDR4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl402
b:72.2
occ:1.00
|
N
|
B:PHE69
|
3.5
|
49.4
|
1.0
|
OG1
|
B:THR68
|
3.7
|
56.5
|
1.0
|
CB
|
B:ALA8
|
4.0
|
46.5
|
1.0
|
CA
|
B:THR68
|
4.0
|
48.4
|
1.0
|
CD2
|
B:PHE69
|
4.0
|
43.3
|
1.0
|
CB
|
B:PHE69
|
4.1
|
49.0
|
1.0
|
C
|
B:THR68
|
4.2
|
55.5
|
1.0
|
CA
|
B:PHE69
|
4.4
|
42.3
|
1.0
|
CB
|
B:THR68
|
4.4
|
48.9
|
1.0
|
CA
|
B:ALA8
|
4.5
|
42.9
|
1.0
|
CG
|
B:PHE69
|
4.6
|
46.5
|
1.0
|
N
|
B:LEU9
|
4.6
|
69.2
|
1.0
|
O
|
B:LEU9
|
4.9
|
63.8
|
1.0
|
O
|
B:PHE69
|
4.9
|
43.4
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 8d58
Go back to
Chlorine Binding Sites List in 8d58
Chlorine binding site 5 out
of 6 in the Crystal Structure of Human METTL1-WDR4 Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Human METTL1-WDR4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl403
b:61.3
occ:1.00
|
N
|
B:ARG104
|
3.2
|
42.2
|
1.0
|
CG
|
B:ARG104
|
3.4
|
47.8
|
1.0
|
NE
|
B:ARG103
|
3.5
|
92.5
|
1.0
|
CE
|
B:LYS83
|
3.5
|
75.1
|
1.0
|
NZ
|
B:LYS83
|
3.8
|
66.3
|
1.0
|
CB
|
B:ARG104
|
3.8
|
51.8
|
1.0
|
CB
|
B:ARG103
|
3.8
|
52.2
|
1.0
|
CA
|
B:ARG103
|
3.9
|
55.0
|
1.0
|
NH2
|
B:ARG103
|
3.9
|
69.9
|
1.0
|
C
|
B:ARG103
|
4.0
|
62.9
|
1.0
|
CA
|
B:ARG104
|
4.1
|
52.0
|
1.0
|
NE
|
B:ARG104
|
4.1
|
79.2
|
1.0
|
CG
|
B:ARG103
|
4.1
|
76.2
|
1.0
|
CZ
|
B:ARG103
|
4.2
|
80.8
|
1.0
|
CD
|
B:ARG104
|
4.4
|
50.8
|
1.0
|
CD
|
B:ARG103
|
4.4
|
94.9
|
1.0
|
CZ
|
B:ARG104
|
4.5
|
86.9
|
1.0
|
CD
|
B:LYS83
|
4.6
|
54.8
|
1.0
|
NH2
|
B:ARG104
|
4.8
|
104.6
|
1.0
|
NH1
|
B:ARG104
|
4.9
|
80.9
|
1.0
|
CG
|
B:LYS83
|
5.0
|
49.7
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 8d58
Go back to
Chlorine Binding Sites List in 8d58
Chlorine binding site 6 out
of 6 in the Crystal Structure of Human METTL1-WDR4 Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Human METTL1-WDR4 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl404
b:89.2
occ:1.00
|
OG
|
B:SER128
|
3.2
|
56.9
|
1.0
|
O
|
B:HOH502
|
3.8
|
60.3
|
1.0
|
O
|
B:SER128
|
3.8
|
52.4
|
1.0
|
CE
|
B:LYS116
|
3.9
|
54.8
|
1.0
|
NZ
|
B:LYS116
|
3.9
|
87.4
|
1.0
|
CB
|
B:SER128
|
4.2
|
43.5
|
1.0
|
CB
|
B:ARG139
|
4.3
|
50.8
|
1.0
|
C
|
B:SER128
|
4.3
|
50.8
|
1.0
|
CD
|
B:LYS116
|
4.3
|
65.5
|
1.0
|
NE
|
B:ARG139
|
4.3
|
82.3
|
1.0
|
CZ
|
B:ARG139
|
4.3
|
82.4
|
1.0
|
NH2
|
B:ARG139
|
4.4
|
87.0
|
1.0
|
N
|
B:SER130
|
4.5
|
51.9
|
1.0
|
N
|
B:PHE129
|
4.7
|
48.0
|
1.0
|
C
|
B:PHE129
|
4.9
|
48.8
|
1.0
|
CA
|
B:PHE129
|
4.9
|
38.0
|
1.0
|
CD
|
B:ARG139
|
4.9
|
77.0
|
1.0
|
CA
|
B:SER128
|
4.9
|
38.0
|
1.0
|
NH1
|
B:ARG139
|
4.9
|
94.3
|
1.0
|
CG
|
B:LYS116
|
4.9
|
49.7
|
1.0
|
N
|
B:ARG139
|
4.9
|
50.3
|
1.0
|
O
|
B:CYS137
|
5.0
|
56.3
|
1.0
|
OE2
|
B:GLU141
|
5.0
|
58.1
|
1.0
|
|
Reference:
V.M.Ruiz-Arroyo,
R.Raj,
K.Babu,
O.Onolbaatar,
P.H.Roberts,
Y.Nam.
Structures and Mechanisms of Trna Methylation By METTL1-WDR4. Nature 2023.
ISSN: ESSN 1476-4687
PubMed: 36599982
DOI: 10.1038/S41586-022-05565-5
Page generated: Tue Jul 30 08:25:42 2024
|