Chlorine in PDB 2vtb: Structure of Cryptochrome 3 - Dna Complex
Enzymatic activity of Structure of Cryptochrome 3 - Dna Complex
All present enzymatic activity of Structure of Cryptochrome 3 - Dna Complex:
4.1.99.3;
Protein crystallography data
The structure of Structure of Cryptochrome 3 - Dna Complex, PDB code: 2vtb
was solved by
R.Pokorny,
T.Klar,
U.Hennecke,
T.Carell,
A.Batschauer,
L.-O.Essen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
15.03 /
2.01
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
120.734,
136.082,
211.484,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.4 /
22.2
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of Cryptochrome 3 - Dna Complex
(pdb code 2vtb). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Structure of Cryptochrome 3 - Dna Complex, PDB code: 2vtb:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 2vtb
Go back to
Chlorine Binding Sites List in 2vtb
Chlorine binding site 1 out
of 8 in the Structure of Cryptochrome 3 - Dna Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Structure of Cryptochrome 3 - Dna Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1501
b:46.4
occ:1.00
|
O
|
A:HOH2190
|
2.9
|
48.1
|
1.0
|
NE2
|
A:HIS142
|
3.0
|
41.4
|
1.0
|
N
|
A:ASP56
|
3.3
|
41.5
|
1.0
|
NH2
|
A:ARG51
|
3.5
|
38.9
|
1.0
|
NH2
|
A:ARG300
|
3.5
|
49.1
|
1.0
|
CB
|
A:ASP56
|
3.6
|
42.3
|
1.0
|
O
|
A:ASP54
|
3.7
|
40.4
|
1.0
|
OD2
|
A:ASP56
|
3.7
|
48.0
|
1.0
|
CG
|
A:ASP56
|
3.8
|
44.5
|
1.0
|
CE1
|
A:HIS142
|
3.8
|
41.0
|
1.0
|
CD2
|
A:HIS142
|
4.0
|
41.6
|
1.0
|
CA
|
A:ASP56
|
4.1
|
41.8
|
1.0
|
CA
|
A:GLY174
|
4.2
|
46.0
|
1.0
|
CA
|
A:ASN55
|
4.2
|
40.8
|
1.0
|
C
|
A:ASN55
|
4.2
|
41.0
|
1.0
|
O
|
A:HOH2036
|
4.3
|
47.2
|
1.0
|
O
|
A:TRP173
|
4.5
|
44.9
|
1.0
|
CZ
|
A:ARG300
|
4.5
|
49.3
|
1.0
|
OD1
|
A:ASP56
|
4.5
|
49.0
|
1.0
|
C
|
A:ASP54
|
4.5
|
40.4
|
1.0
|
CZ
|
A:ARG51
|
4.8
|
38.2
|
1.0
|
N
|
A:ASN55
|
4.8
|
40.4
|
1.0
|
NH1
|
A:ARG300
|
4.9
|
51.0
|
1.0
|
N
|
A:ALA57
|
4.9
|
40.8
|
1.0
|
ND1
|
A:HIS142
|
4.9
|
39.2
|
1.0
|
N
|
A:SER175
|
5.0
|
47.2
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 2vtb
Go back to
Chlorine Binding Sites List in 2vtb
Chlorine binding site 2 out
of 8 in the Structure of Cryptochrome 3 - Dna Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Structure of Cryptochrome 3 - Dna Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1498
b:52.1
occ:1.00
|
NE2
|
B:HIS142
|
3.0
|
40.5
|
1.0
|
N
|
B:ASP56
|
3.2
|
41.9
|
1.0
|
NH2
|
B:ARG300
|
3.4
|
49.0
|
1.0
|
O
|
B:ASP54
|
3.5
|
41.2
|
1.0
|
NH2
|
B:ARG51
|
3.5
|
39.1
|
1.0
|
CB
|
B:ASP56
|
3.6
|
42.5
|
1.0
|
CE1
|
B:HIS142
|
3.9
|
39.8
|
1.0
|
CG
|
B:ASP56
|
3.9
|
44.0
|
1.0
|
OD2
|
B:ASP56
|
3.9
|
45.7
|
1.0
|
CA
|
B:ASP56
|
4.0
|
42.2
|
1.0
|
CD2
|
B:HIS142
|
4.0
|
40.6
|
1.0
|
CA
|
B:GLY174
|
4.1
|
46.2
|
1.0
|
CA
|
B:ASN55
|
4.2
|
41.2
|
1.0
|
C
|
B:ASN55
|
4.2
|
41.4
|
1.0
|
O
|
B:HOH2071
|
4.3
|
45.7
|
1.0
|
C
|
B:ASP54
|
4.4
|
40.8
|
1.0
|
O
|
B:TRP173
|
4.5
|
44.8
|
1.0
|
CZ
|
B:ARG300
|
4.5
|
48.5
|
1.0
|
OD1
|
B:ASP56
|
4.6
|
47.0
|
1.0
|
N
|
B:ASN55
|
4.7
|
41.0
|
1.0
|
CZ
|
B:ARG51
|
4.8
|
39.0
|
1.0
|
N
|
B:ALA57
|
4.9
|
41.6
|
1.0
|
N
|
B:SER175
|
4.9
|
47.5
|
1.0
|
OD1
|
B:ASN55
|
4.9
|
41.5
|
1.0
|
C
|
B:ASP56
|
5.0
|
41.9
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 2vtb
Go back to
Chlorine Binding Sites List in 2vtb
Chlorine binding site 3 out
of 8 in the Structure of Cryptochrome 3 - Dna Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Structure of Cryptochrome 3 - Dna Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1499
b:70.7
occ:1.00
|
O
|
B:HOH2175
|
3.0
|
48.8
|
1.0
|
O
|
B:HOH2108
|
3.1
|
36.2
|
1.0
|
N
|
B:GLY281
|
3.3
|
39.5
|
1.0
|
CA
|
B:GLY281
|
3.6
|
39.4
|
1.0
|
ND1
|
B:HIS5
|
4.0
|
49.8
|
1.0
|
CA
|
B:GLY245
|
4.1
|
41.8
|
1.0
|
CG
|
B:MET246
|
4.2
|
40.5
|
1.0
|
CE
|
B:MET246
|
4.2
|
41.3
|
1.0
|
CE1
|
B:PHE466
|
4.3
|
41.4
|
1.0
|
N
|
B:MET246
|
4.3
|
40.8
|
1.0
|
C
|
B:GLY281
|
4.4
|
39.4
|
1.0
|
CD1
|
B:LEU280
|
4.4
|
39.7
|
1.0
|
CE1
|
B:HIS5
|
4.4
|
50.0
|
1.0
|
C
|
B:LEU280
|
4.5
|
39.4
|
1.0
|
C
|
B:GLY245
|
4.6
|
41.3
|
1.0
|
CZ
|
B:PHE466
|
4.7
|
40.9
|
1.0
|
CZ2
|
B:TRP467
|
4.8
|
40.8
|
1.0
|
CA
|
B:LEU280
|
4.8
|
39.3
|
1.0
|
SD
|
B:MET246
|
4.8
|
40.5
|
1.0
|
O
|
B:GLY281
|
4.9
|
39.0
|
1.0
|
CD1
|
B:PHE466
|
4.9
|
41.1
|
1.0
|
N
|
B:PRO282
|
4.9
|
39.3
|
1.0
|
CB
|
B:MET246
|
5.0
|
40.3
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 2vtb
Go back to
Chlorine Binding Sites List in 2vtb
Chlorine binding site 4 out
of 8 in the Structure of Cryptochrome 3 - Dna Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Structure of Cryptochrome 3 - Dna Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1499
b:48.5
occ:1.00
|
NE2
|
C:HIS142
|
3.0
|
39.9
|
1.0
|
N
|
C:ASP56
|
3.2
|
41.8
|
1.0
|
NH2
|
C:ARG300
|
3.3
|
49.4
|
1.0
|
O
|
C:HOH2025
|
3.4
|
54.4
|
1.0
|
NH2
|
C:ARG51
|
3.5
|
40.5
|
1.0
|
CB
|
C:ASP56
|
3.5
|
42.8
|
1.0
|
O
|
C:ASP54
|
3.7
|
40.5
|
1.0
|
CG
|
C:ASP56
|
3.7
|
45.0
|
1.0
|
CE1
|
C:HIS142
|
3.7
|
39.9
|
1.0
|
OD2
|
C:ASP56
|
3.8
|
49.1
|
1.0
|
CA
|
C:ASP56
|
4.0
|
42.4
|
1.0
|
CD2
|
C:HIS142
|
4.0
|
40.1
|
1.0
|
CA
|
C:ASN55
|
4.1
|
41.0
|
1.0
|
C
|
C:ASN55
|
4.2
|
41.3
|
1.0
|
O
|
C:HOH2024
|
4.3
|
46.0
|
1.0
|
CA
|
C:GLY174
|
4.3
|
45.7
|
1.0
|
CZ
|
C:ARG300
|
4.4
|
49.9
|
1.0
|
OD1
|
C:ASP56
|
4.4
|
48.0
|
1.0
|
C
|
C:ASP54
|
4.5
|
40.5
|
1.0
|
O
|
C:TRP173
|
4.6
|
44.0
|
1.0
|
O
|
C:HOH2095
|
4.7
|
59.3
|
1.0
|
N
|
C:ASN55
|
4.7
|
40.7
|
1.0
|
NH1
|
C:ARG300
|
4.8
|
50.9
|
1.0
|
N
|
C:ALA57
|
4.8
|
41.7
|
1.0
|
CZ
|
C:ARG51
|
4.8
|
38.8
|
1.0
|
ND1
|
C:HIS142
|
4.9
|
39.5
|
1.0
|
C
|
C:ASP56
|
4.9
|
42.0
|
1.0
|
OD1
|
C:ASN55
|
5.0
|
40.2
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 2vtb
Go back to
Chlorine Binding Sites List in 2vtb
Chlorine binding site 5 out
of 8 in the Structure of Cryptochrome 3 - Dna Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Structure of Cryptochrome 3 - Dna Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1500
b:53.7
occ:1.00
|
O
|
C:HOH2243
|
3.0
|
38.3
|
1.0
|
O
|
C:HOH2142
|
3.0
|
35.4
|
1.0
|
N
|
C:GLY281
|
3.2
|
40.0
|
1.0
|
CA
|
C:GLY281
|
3.5
|
40.1
|
1.0
|
CG
|
C:MET246
|
4.0
|
40.9
|
1.0
|
ND1
|
C:HIS5
|
4.1
|
54.3
|
1.0
|
CE
|
C:MET246
|
4.1
|
39.6
|
1.0
|
CA
|
C:GLY245
|
4.2
|
42.4
|
1.0
|
CD1
|
C:LEU280
|
4.3
|
40.1
|
1.0
|
N
|
C:MET246
|
4.3
|
41.4
|
1.0
|
C
|
C:GLY281
|
4.3
|
40.2
|
1.0
|
CE1
|
C:HIS5
|
4.4
|
54.7
|
1.0
|
C
|
C:LEU280
|
4.4
|
39.5
|
1.0
|
CE1
|
C:PHE466
|
4.5
|
43.1
|
1.0
|
C
|
C:GLY245
|
4.6
|
42.0
|
1.0
|
SD
|
C:MET246
|
4.7
|
41.8
|
1.0
|
CA
|
C:LEU280
|
4.7
|
39.2
|
1.0
|
O
|
C:GLY281
|
4.8
|
40.4
|
1.0
|
CB
|
C:MET246
|
4.9
|
40.9
|
1.0
|
CZ
|
C:PHE466
|
4.9
|
42.9
|
1.0
|
N
|
C:PRO282
|
4.9
|
40.1
|
1.0
|
CD
|
C:PRO282
|
4.9
|
40.3
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 2vtb
Go back to
Chlorine Binding Sites List in 2vtb
Chlorine binding site 6 out
of 8 in the Structure of Cryptochrome 3 - Dna Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Structure of Cryptochrome 3 - Dna Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1498
b:47.1
occ:1.00
|
NE2
|
D:HIS142
|
3.0
|
41.5
|
1.0
|
O
|
D:HOH2160
|
3.1
|
49.9
|
1.0
|
N
|
D:ASP56
|
3.3
|
41.8
|
1.0
|
NH2
|
D:ARG300
|
3.4
|
49.4
|
1.0
|
NH2
|
D:ARG51
|
3.5
|
40.4
|
1.0
|
O
|
D:ASP54
|
3.5
|
41.4
|
1.0
|
CB
|
D:ASP56
|
3.6
|
42.8
|
1.0
|
CE1
|
D:HIS142
|
3.7
|
41.4
|
1.0
|
O
|
D:HOH2022
|
3.7
|
58.9
|
1.0
|
CG
|
D:ASP56
|
3.9
|
45.2
|
1.0
|
OD2
|
D:ASP56
|
4.0
|
48.9
|
1.0
|
CD2
|
D:HIS142
|
4.0
|
41.6
|
1.0
|
CA
|
D:ASP56
|
4.0
|
42.2
|
1.0
|
CA
|
D:ASN55
|
4.1
|
41.1
|
1.0
|
CA
|
D:GLY174
|
4.2
|
46.5
|
1.0
|
C
|
D:ASN55
|
4.2
|
41.3
|
1.0
|
O
|
D:HOH2021
|
4.3
|
49.9
|
1.0
|
C
|
D:ASP54
|
4.4
|
40.8
|
1.0
|
CZ
|
D:ARG300
|
4.4
|
48.9
|
1.0
|
OD1
|
D:ASP56
|
4.5
|
48.6
|
1.0
|
O
|
D:TRP173
|
4.5
|
44.9
|
1.0
|
O
|
D:HOH2085
|
4.5
|
64.0
|
1.0
|
N
|
D:ASN55
|
4.7
|
41.0
|
1.0
|
CZ
|
D:ARG51
|
4.8
|
39.7
|
1.0
|
N
|
D:ALA57
|
4.9
|
41.5
|
1.0
|
ND1
|
D:HIS142
|
4.9
|
41.5
|
1.0
|
NH1
|
D:ARG300
|
4.9
|
50.9
|
1.0
|
OD1
|
D:ASN55
|
4.9
|
41.1
|
1.0
|
N
|
D:SER175
|
5.0
|
47.7
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 2vtb
Go back to
Chlorine Binding Sites List in 2vtb
Chlorine binding site 7 out
of 8 in the Structure of Cryptochrome 3 - Dna Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Structure of Cryptochrome 3 - Dna Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl1499
b:44.9
occ:1.00
|
NE2
|
E:HIS142
|
3.0
|
41.7
|
1.0
|
N
|
E:ASP56
|
3.3
|
41.6
|
1.0
|
NH2
|
E:ARG300
|
3.4
|
50.9
|
1.0
|
NH2
|
E:ARG51
|
3.5
|
40.0
|
1.0
|
O
|
E:ASP54
|
3.6
|
40.6
|
1.0
|
CG
|
E:ASP56
|
3.6
|
46.8
|
1.0
|
CB
|
E:ASP56
|
3.6
|
43.2
|
1.0
|
CE1
|
E:HIS142
|
3.8
|
41.5
|
1.0
|
OD2
|
E:ASP56
|
3.8
|
51.9
|
1.0
|
CD2
|
E:HIS142
|
4.1
|
41.2
|
1.0
|
CA
|
E:ASP56
|
4.1
|
42.3
|
1.0
|
OD1
|
E:ASP56
|
4.1
|
51.9
|
1.0
|
CA
|
E:ASN55
|
4.1
|
40.7
|
1.0
|
C
|
E:ASN55
|
4.2
|
41.0
|
1.0
|
O
|
E:HOH2026
|
4.2
|
40.6
|
1.0
|
CZ
|
E:ARG300
|
4.4
|
51.3
|
1.0
|
CA
|
E:GLY174
|
4.5
|
46.2
|
1.0
|
C
|
E:ASP54
|
4.5
|
40.7
|
1.0
|
N
|
E:ASN55
|
4.7
|
40.7
|
1.0
|
O
|
E:TRP173
|
4.7
|
44.9
|
1.0
|
CZ
|
E:ARG51
|
4.8
|
39.0
|
1.0
|
OD1
|
E:ASN55
|
4.9
|
37.9
|
1.0
|
N
|
E:ALA57
|
4.9
|
41.0
|
1.0
|
ND1
|
E:HIS142
|
4.9
|
40.0
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 2vtb
Go back to
Chlorine Binding Sites List in 2vtb
Chlorine binding site 8 out
of 8 in the Structure of Cryptochrome 3 - Dna Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Structure of Cryptochrome 3 - Dna Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl1498
b:69.4
occ:1.00
|
O
|
F:HOH2068
|
3.0
|
51.5
|
1.0
|
O
|
F:HOH2001
|
3.6
|
68.4
|
1.0
|
ND1
|
F:HIS5
|
3.6
|
50.3
|
1.0
|
N
|
F:GLY281
|
3.7
|
39.6
|
1.0
|
CA
|
F:GLY281
|
3.7
|
39.5
|
1.0
|
CA
|
F:GLY245
|
3.8
|
42.1
|
1.0
|
CG
|
F:MET246
|
3.9
|
40.6
|
1.0
|
N
|
F:MET246
|
3.9
|
41.1
|
1.0
|
CE1
|
F:HIS5
|
4.0
|
50.1
|
1.0
|
C
|
F:GLY245
|
4.1
|
41.6
|
1.0
|
CE1
|
F:PHE466
|
4.3
|
41.8
|
1.0
|
CE
|
F:MET246
|
4.4
|
41.0
|
1.0
|
C
|
F:GLY281
|
4.5
|
39.5
|
1.0
|
CZ
|
F:PHE466
|
4.6
|
41.5
|
1.0
|
CD1
|
F:LEU280
|
4.7
|
39.2
|
1.0
|
CB
|
F:MET246
|
4.7
|
40.8
|
1.0
|
CA
|
F:MET246
|
4.7
|
40.8
|
1.0
|
SD
|
F:MET246
|
4.8
|
40.9
|
1.0
|
C
|
F:LEU280
|
4.9
|
39.5
|
1.0
|
CG
|
F:HIS5
|
4.9
|
49.2
|
1.0
|
CD
|
F:PRO282
|
4.9
|
39.4
|
1.0
|
N
|
F:PRO282
|
4.9
|
39.3
|
1.0
|
CZ2
|
F:TRP467
|
5.0
|
41.0
|
1.0
|
CD1
|
F:PHE466
|
5.0
|
41.7
|
1.0
|
|
Reference:
R.Pokorny,
T.Klar,
U.Hennecke,
T.Carell,
A.Batschauer,
L.-O.Essen.
Recognition and Repair of Uv Lesions in Loop Structures of Duplex Dna By Dash-Type Cryptochrome. Proc.Natl.Acad.Sci.Usa V. 105 21023 2008.
ISSN: ISSN 0027-8424
PubMed: 19074258
DOI: 10.1073/PNAS.0805830106
Page generated: Sat Jul 20 12:14:17 2024
|