Chlorine in PDB 2e0l: Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Enzymatic activity of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
All present enzymatic activity of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L):
3.1.27.5;
Protein crystallography data
The structure of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L), PDB code: 2e0l
was solved by
H.Yamada,
T.Tamada,
M.Kosaka,
R.Kuroki,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
1.60
|
Space group
|
I 41
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.376,
93.376,
93.009,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.4 /
21.5
|
Other elements in 2e0l:
The structure of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Chlorine atom in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
(pdb code 2e0l). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the
Mutant Human Ribonuclease 1 (Q28L, R31L, R32L), PDB code: 2e0l:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 11 in 2e0l
Go back to
Chlorine Binding Sites List in 2e0l
Chlorine binding site 1 out
of 11 in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl2001
b:29.0
occ:1.00
|
CD
|
A:CD1002
|
2.5
|
18.5
|
0.5
|
CL
|
A:CL2002
|
3.5
|
19.9
|
1.0
|
|
Chlorine binding site 2 out
of 11 in 2e0l
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Chlorine Binding Sites List in 2e0l
Chlorine binding site 2 out
of 11 in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl2002
b:19.9
occ:1.00
|
CD
|
A:CD1002
|
2.3
|
18.5
|
0.5
|
N
|
A:GLU125
|
3.2
|
31.8
|
1.0
|
CL
|
A:CL2001
|
3.5
|
29.0
|
1.0
|
NE
|
A:ARG104
|
3.7
|
30.1
|
1.0
|
CA
|
A:VAL124
|
3.8
|
31.9
|
1.0
|
CB
|
A:GLU125
|
3.9
|
30.8
|
1.0
|
C
|
A:VAL124
|
3.9
|
31.9
|
1.0
|
O
|
A:HOH2035
|
4.0
|
27.6
|
1.0
|
CD
|
A:ARG104
|
4.1
|
30.1
|
1.0
|
CA
|
A:GLU125
|
4.2
|
31.9
|
1.0
|
CZ
|
A:ARG104
|
4.3
|
32.2
|
1.0
|
O
|
A:SER123
|
4.3
|
32.1
|
1.0
|
NH2
|
A:ARG104
|
4.4
|
34.3
|
1.0
|
CB
|
A:VAL124
|
4.6
|
33.5
|
1.0
|
N
|
A:VAL124
|
4.8
|
32.0
|
1.0
|
C
|
A:SER123
|
4.9
|
32.4
|
1.0
|
OE2
|
A:GLU125
|
5.0
|
29.1
|
1.0
|
|
Chlorine binding site 3 out
of 11 in 2e0l
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Chlorine Binding Sites List in 2e0l
Chlorine binding site 3 out
of 11 in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl2005
b:35.9
occ:1.00
|
CD
|
A:CD1004
|
2.5
|
34.5
|
1.0
|
NE
|
A:ARG85
|
3.4
|
44.6
|
1.0
|
NZ
|
A:LYS102
|
3.6
|
39.0
|
1.0
|
CB
|
A:SER100
|
3.6
|
30.0
|
1.0
|
OD2
|
A:ASP83
|
3.6
|
40.1
|
1.0
|
OG
|
A:SER100
|
3.7
|
34.1
|
1.0
|
CB
|
A:ASP83
|
3.7
|
32.3
|
1.0
|
CD
|
A:ARG85
|
3.8
|
35.6
|
1.0
|
CL
|
A:CL2006
|
4.1
|
28.2
|
1.0
|
CG
|
A:ASP83
|
4.1
|
36.5
|
1.0
|
CZ
|
A:ARG85
|
4.4
|
47.1
|
1.0
|
CE
|
A:LYS102
|
4.5
|
41.4
|
1.0
|
CG
|
A:ARG85
|
4.6
|
34.9
|
1.0
|
NH2
|
A:ARG85
|
4.6
|
51.0
|
1.0
|
|
Chlorine binding site 4 out
of 11 in 2e0l
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Chlorine Binding Sites List in 2e0l
Chlorine binding site 4 out
of 11 in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl2006
b:28.2
occ:1.00
|
CD
|
A:CD1004
|
2.5
|
34.5
|
1.0
|
CD
|
A:ARG85
|
3.6
|
35.6
|
1.0
|
O
|
A:HOH2165
|
3.9
|
42.0
|
1.0
|
CL
|
A:CL2005
|
4.1
|
35.9
|
1.0
|
NE
|
A:ARG85
|
4.2
|
44.6
|
1.0
|
O
|
A:HOH2192
|
4.6
|
47.7
|
1.0
|
CG
|
A:ARG85
|
4.9
|
34.9
|
1.0
|
CZ
|
A:ARG85
|
4.9
|
47.1
|
1.0
|
|
Chlorine binding site 5 out
of 11 in 2e0l
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Chlorine Binding Sites List in 2e0l
Chlorine binding site 5 out
of 11 in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl2009
b:43.3
occ:1.00
|
CD
|
A:CD1006
|
2.7
|
70.6
|
1.0
|
O
|
A:HOH2063
|
2.7
|
25.1
|
1.0
|
N
|
A:PHE120
|
3.0
|
32.2
|
1.0
|
NE2
|
A:HIS12
|
3.1
|
31.9
|
1.0
|
O
|
A:HOH2146
|
3.2
|
41.8
|
1.0
|
O
|
A:HOH2090
|
3.4
|
42.8
|
1.0
|
CA
|
A:HIS119
|
3.4
|
32.6
|
1.0
|
O
|
A:HOH2153
|
3.7
|
48.8
|
1.0
|
CD2
|
A:HIS12
|
3.7
|
32.1
|
1.0
|
C
|
A:HIS119
|
3.7
|
32.6
|
1.0
|
ND1
|
A:HIS119
|
3.8
|
36.1
|
1.0
|
CA
|
A:PHE120
|
4.0
|
32.2
|
1.0
|
CE1
|
A:HIS12
|
4.1
|
33.9
|
1.0
|
OE1
|
A:GLN11
|
4.1
|
35.1
|
1.0
|
CB
|
A:PHE120
|
4.1
|
32.9
|
1.0
|
CB
|
A:HIS119
|
4.2
|
33.1
|
1.0
|
O
|
A:PHE120
|
4.2
|
32.4
|
1.0
|
CG
|
A:HIS119
|
4.3
|
35.5
|
1.0
|
O
|
A:VAL118
|
4.4
|
33.4
|
1.0
|
O
|
A:HOH2188
|
4.4
|
55.8
|
1.0
|
N
|
A:HIS119
|
4.5
|
32.8
|
1.0
|
C
|
A:PHE120
|
4.6
|
32.5
|
1.0
|
O
|
A:HOH2034
|
4.7
|
29.3
|
1.0
|
CE1
|
A:HIS119
|
4.7
|
37.1
|
1.0
|
CD1
|
A:PHE8
|
4.8
|
31.0
|
1.0
|
C
|
A:VAL118
|
4.9
|
31.7
|
1.0
|
CG
|
A:HIS12
|
4.9
|
32.4
|
1.0
|
O
|
A:HIS119
|
4.9
|
32.8
|
1.0
|
|
Chlorine binding site 6 out
of 11 in 2e0l
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Chlorine Binding Sites List in 2e0l
Chlorine binding site 6 out
of 11 in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl2011
b:34.0
occ:1.00
|
CD
|
A:CD1008
|
2.3
|
36.7
|
1.0
|
O
|
A:HOH2019
|
2.6
|
20.9
|
1.0
|
O
|
A:HOH2096
|
2.9
|
37.2
|
1.0
|
OE1
|
A:GLU49
|
3.0
|
32.8
|
1.0
|
O
|
A:HOH2033
|
3.3
|
34.1
|
1.0
|
O
|
A:HOH2132
|
3.3
|
35.3
|
1.0
|
ND1
|
A:HIS80
|
3.4
|
34.8
|
1.0
|
CE1
|
A:HIS80
|
3.4
|
30.8
|
1.0
|
CD
|
A:GLU49
|
3.8
|
32.6
|
1.0
|
OE2
|
A:GLU49
|
3.8
|
32.6
|
1.0
|
O
|
A:SER78
|
3.8
|
35.5
|
1.0
|
O
|
A:HOH2158
|
4.2
|
47.1
|
1.0
|
CG
|
A:HIS80
|
4.4
|
30.2
|
1.0
|
N
|
A:HIS80
|
4.4
|
28.1
|
1.0
|
NE2
|
A:HIS80
|
4.4
|
35.1
|
1.0
|
CA
|
A:MET79
|
4.5
|
30.4
|
1.0
|
O
|
A:HOH2122
|
4.7
|
40.3
|
1.0
|
OE1
|
A:GLU103
|
4.8
|
36.5
|
1.0
|
O
|
A:HOH2182
|
4.8
|
40.2
|
1.0
|
C
|
A:MET79
|
4.9
|
31.2
|
1.0
|
C
|
A:SER78
|
4.9
|
32.5
|
1.0
|
CD2
|
A:HIS80
|
4.9
|
32.6
|
1.0
|
|
Chlorine binding site 7 out
of 11 in 2e0l
Go back to
Chlorine Binding Sites List in 2e0l
Chlorine binding site 7 out
of 11 in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2003
b:29.3
occ:1.00
|
CD
|
B:CD1003
|
3.1
|
18.5
|
0.5
|
CL
|
B:CL2004
|
3.5
|
20.3
|
1.0
|
|
Chlorine binding site 8 out
of 11 in 2e0l
Go back to
Chlorine Binding Sites List in 2e0l
Chlorine binding site 8 out
of 11 in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2004
b:20.3
occ:1.00
|
CD
|
B:CD1003
|
2.8
|
18.5
|
0.5
|
N
|
B:GLU125
|
3.2
|
32.4
|
1.0
|
CL
|
B:CL2003
|
3.5
|
29.3
|
1.0
|
NE
|
B:ARG104
|
3.6
|
31.1
|
1.0
|
CA
|
B:VAL124
|
3.8
|
32.2
|
1.0
|
CB
|
B:GLU125
|
3.8
|
31.6
|
1.0
|
C
|
B:VAL124
|
3.9
|
32.2
|
1.0
|
O
|
B:HOH2198
|
4.0
|
27.7
|
1.0
|
CA
|
B:GLU125
|
4.1
|
32.7
|
1.0
|
CD
|
B:ARG104
|
4.1
|
31.7
|
1.0
|
CZ
|
B:ARG104
|
4.2
|
33.8
|
1.0
|
O
|
B:SER123
|
4.3
|
32.7
|
1.0
|
NH2
|
B:ARG104
|
4.4
|
36.0
|
1.0
|
CB
|
B:VAL124
|
4.6
|
33.7
|
1.0
|
N
|
B:VAL124
|
4.8
|
32.8
|
1.0
|
OE2
|
B:GLU125
|
4.9
|
29.9
|
1.0
|
C
|
B:SER123
|
4.9
|
33.0
|
1.0
|
|
Chlorine binding site 9 out
of 11 in 2e0l
Go back to
Chlorine Binding Sites List in 2e0l
Chlorine binding site 9 out
of 11 in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2007
b:35.6
occ:1.00
|
CD
|
B:CD1005
|
2.3
|
36.7
|
1.0
|
O
|
B:HOH2021
|
2.6
|
21.8
|
1.0
|
O
|
B:HOH2097
|
2.9
|
36.4
|
1.0
|
OE1
|
B:GLU49
|
3.0
|
32.7
|
1.0
|
O
|
B:HOH2093
|
3.2
|
37.0
|
1.0
|
ND1
|
B:HIS80
|
3.3
|
34.4
|
1.0
|
CL
|
B:CL2008
|
3.5
|
48.1
|
1.0
|
CE1
|
B:HIS80
|
3.5
|
30.8
|
1.0
|
CD
|
B:GLU49
|
3.8
|
33.2
|
1.0
|
OE2
|
B:GLU49
|
3.8
|
32.4
|
1.0
|
O
|
B:SER78
|
3.8
|
35.5
|
1.0
|
O
|
B:HOH2054
|
3.9
|
26.1
|
1.0
|
N
|
B:HIS80
|
4.4
|
28.4
|
1.0
|
CG
|
B:HIS80
|
4.4
|
29.8
|
1.0
|
CA
|
B:MET79
|
4.5
|
30.9
|
1.0
|
NE2
|
B:HIS80
|
4.6
|
34.6
|
1.0
|
O
|
B:HOH2122
|
4.7
|
35.6
|
1.0
|
O
|
B:HOH2131
|
4.8
|
42.7
|
1.0
|
O
|
B:HOH2189
|
4.8
|
42.0
|
1.0
|
C
|
B:MET79
|
4.8
|
30.7
|
1.0
|
C
|
B:SER78
|
4.9
|
32.7
|
1.0
|
|
Chlorine binding site 10 out
of 11 in 2e0l
Go back to
Chlorine Binding Sites List in 2e0l
Chlorine binding site 10 out
of 11 in the Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2008
b:48.1
occ:1.00
|
CD
|
B:CD1005
|
2.7
|
36.7
|
1.0
|
O
|
B:HOH2093
|
2.7
|
37.0
|
1.0
|
CE1
|
B:HIS80
|
3.2
|
30.8
|
1.0
|
CL
|
B:CL2007
|
3.5
|
35.6
|
1.0
|
ND1
|
B:HIS80
|
3.6
|
34.4
|
1.0
|
O
|
B:HOH2122
|
3.7
|
35.6
|
1.0
|
NE2
|
B:HIS80
|
4.5
|
34.6
|
1.0
|
O
|
B:HOH2177
|
4.7
|
61.1
|
1.0
|
O
|
B:HOH2172
|
4.8
|
57.1
|
1.0
|
OE2
|
B:GLU49
|
4.9
|
32.4
|
1.0
|
CG
|
B:HIS80
|
5.0
|
29.8
|
1.0
|
|
Reference:
H.Yamada,
T.Tamada,
M.Kosaka,
K.Miyata,
S.Fujiki,
M.Tano,
M.Moriya,
M.Yamanishi,
E.Honjo,
H.Tada,
T.Ino,
H.Yamaguchi,
J.Futami,
M.Seno,
T.Nomoto,
T.Hirata,
M.Yoshimura,
R.Kuroki.
'Crystal Lattice Engineering,' An Approach to Engineer Protein Crystal Contacts By Creating Intermolecular Symmetry: Crystallization and Structure Determination of A Mutant Human Rnase 1 with A Hydrophobic Interface of Leucines Protein Sci. V. 16 1389 2007.
ISSN: ISSN 0961-8368
PubMed: 17586772
DOI: 10.1110/PS.072851407
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