Chlorine in PDB 4bb7: Crystal Structure of the Yeast RSC2 Bah Domain
Protein crystallography data
The structure of Crystal Structure of the Yeast RSC2 Bah Domain, PDB code: 4bb7
was solved by
A.L.Chambers,
L.H.Pearl,
A.W.Oliver,
J.A.Downs,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.493 /
2.40
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
64.090,
64.070,
136.840,
90.00,
95.47,
90.00
|
R / Rfree (%)
|
21.71 /
28.56
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of the Yeast RSC2 Bah Domain
(pdb code 4bb7). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Crystal Structure of the Yeast RSC2 Bah Domain, PDB code: 4bb7:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 4bb7
Go back to
Chlorine Binding Sites List in 4bb7
Chlorine binding site 1 out
of 8 in the Crystal Structure of the Yeast RSC2 Bah Domain
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 the Yeast RSC2 Bah Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl800
b:34.4
occ:1.00
|
N
|
A:ARG459
|
3.3
|
27.0
|
1.0
|
OH
|
A:TYR603
|
3.4
|
27.9
|
1.0
|
CE1
|
A:TYR603
|
3.6
|
26.5
|
1.0
|
CG
|
A:ARG459
|
3.6
|
31.7
|
1.0
|
CD
|
A:ARG462
|
3.7
|
26.6
|
1.0
|
NH1
|
A:ARG462
|
3.7
|
24.4
|
1.0
|
O
|
A:HOH2029
|
3.7
|
30.5
|
1.0
|
CD
|
A:ARG459
|
3.7
|
32.7
|
1.0
|
CB
|
A:ARG459
|
3.8
|
29.2
|
1.0
|
CB
|
A:HIS458
|
3.8
|
30.1
|
1.0
|
CA
|
A:HIS458
|
3.9
|
29.4
|
1.0
|
CZ
|
A:TYR603
|
3.9
|
28.0
|
1.0
|
O
|
A:HOH2061
|
4.1
|
24.7
|
1.0
|
CD1
|
A:PHE522
|
4.1
|
26.9
|
1.0
|
C
|
A:HIS458
|
4.1
|
28.0
|
1.0
|
CE1
|
A:PHE522
|
4.1
|
23.7
|
1.0
|
CA
|
A:ARG459
|
4.1
|
24.4
|
1.0
|
NE
|
A:ARG462
|
4.5
|
27.1
|
1.0
|
CZ
|
A:ARG462
|
4.5
|
30.3
|
1.0
|
CB
|
A:ARG462
|
4.6
|
26.0
|
1.0
|
OH
|
A:TYR590
|
4.6
|
36.8
|
1.0
|
CG
|
A:ARG462
|
4.6
|
30.1
|
1.0
|
CD1
|
A:TYR603
|
4.8
|
23.1
|
1.0
|
NE
|
A:ARG459
|
4.9
|
36.4
|
1.0
|
O
|
A:ARG459
|
5.0
|
30.2
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 4bb7
Go back to
Chlorine Binding Sites List in 4bb7
Chlorine binding site 2 out
of 8 in the Crystal Structure of the Yeast RSC2 Bah Domain
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 the Yeast RSC2 Bah Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl801
b:51.2
occ:1.00
|
ND2
|
A:ASN482
|
3.5
|
31.6
|
1.0
|
CG
|
A:LEU479
|
3.9
|
34.8
|
1.0
|
CD1
|
A:LEU479
|
4.0
|
25.1
|
1.0
|
N
|
A:LEU479
|
4.1
|
27.0
|
1.0
|
CB
|
A:LEU479
|
4.4
|
30.5
|
1.0
|
CG
|
A:ASN482
|
4.5
|
34.1
|
1.0
|
OD1
|
A:ASN482
|
4.5
|
33.0
|
1.0
|
O
|
A:HOH2043
|
4.7
|
30.5
|
1.0
|
CH2
|
A:TRP444
|
4.7
|
36.9
|
1.0
|
CA
|
A:HIS478
|
4.7
|
23.1
|
1.0
|
CZ3
|
A:TRP444
|
4.9
|
26.9
|
1.0
|
C
|
A:HIS478
|
4.9
|
29.6
|
1.0
|
CA
|
A:LEU479
|
4.9
|
27.9
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 4bb7
Go back to
Chlorine Binding Sites List in 4bb7
Chlorine binding site 3 out
of 8 in the Crystal Structure of the Yeast RSC2 Bah Domain
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 the Yeast RSC2 Bah Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl701
b:44.5
occ:1.00
|
O
|
B:HOH2037
|
3.4
|
39.0
|
1.0
|
OD1
|
B:ASN482
|
3.7
|
26.5
|
1.0
|
N
|
B:LEU479
|
3.8
|
28.7
|
1.0
|
CG
|
B:LEU479
|
4.0
|
35.2
|
1.0
|
CD1
|
B:LEU479
|
4.1
|
24.2
|
1.0
|
CB
|
B:LEU479
|
4.2
|
27.7
|
1.0
|
CH2
|
B:TRP444
|
4.3
|
38.0
|
1.0
|
CZ3
|
B:TRP444
|
4.4
|
30.7
|
1.0
|
CA
|
B:HIS478
|
4.5
|
23.1
|
1.0
|
ND2
|
B:ASN482
|
4.6
|
34.5
|
1.0
|
CG
|
B:ASN482
|
4.6
|
31.1
|
1.0
|
CA
|
B:LEU479
|
4.7
|
24.8
|
1.0
|
C
|
B:HIS478
|
4.7
|
31.6
|
1.0
|
O
|
B:ASP477
|
4.8
|
30.2
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 4bb7
Go back to
Chlorine Binding Sites List in 4bb7
Chlorine binding site 4 out
of 8 in the Crystal Structure of the Yeast RSC2 Bah Domain
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 the Yeast RSC2 Bah Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl702
b:55.9
occ:1.00
|
OH
|
B:TYR554
|
4.1
|
32.1
|
1.0
|
CD2
|
B:PHE552
|
4.2
|
34.0
|
1.0
|
CE2
|
B:PHE552
|
4.3
|
32.7
|
1.0
|
CG
|
B:PHE552
|
4.5
|
35.3
|
1.0
|
CG1
|
B:VAL625
|
4.5
|
31.6
|
1.0
|
CZ
|
B:PHE552
|
4.7
|
35.3
|
1.0
|
CE2
|
B:TYR554
|
4.7
|
28.6
|
1.0
|
O
|
B:HOH2059
|
4.8
|
32.8
|
1.0
|
CD1
|
B:PHE552
|
4.8
|
29.5
|
1.0
|
CZ
|
B:TYR554
|
4.9
|
26.8
|
1.0
|
CE1
|
B:PHE552
|
4.9
|
31.0
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 4bb7
Go back to
Chlorine Binding Sites List in 4bb7
Chlorine binding site 5 out
of 8 in the Crystal Structure of the Yeast RSC2 Bah Domain
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 the Yeast RSC2 Bah Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl703
b:27.4
occ:1.00
|
OH
|
B:TYR603
|
2.8
|
46.2
|
1.0
|
NH1
|
B:ARG462
|
3.2
|
28.6
|
1.0
|
CE1
|
B:TYR603
|
3.4
|
32.0
|
1.0
|
CZ
|
B:TYR603
|
3.5
|
37.1
|
1.0
|
N
|
B:ARG459
|
3.6
|
22.5
|
1.0
|
CB
|
B:HIS458
|
3.8
|
24.6
|
1.0
|
CD
|
B:ARG462
|
3.9
|
23.9
|
1.0
|
CD1
|
B:PHE522
|
4.0
|
25.5
|
1.0
|
CB
|
B:ARG459
|
4.0
|
25.2
|
1.0
|
O
|
B:HOH2021
|
4.1
|
33.7
|
1.0
|
CA
|
B:HIS458
|
4.1
|
26.6
|
1.0
|
CG
|
B:ARG459
|
4.2
|
28.9
|
1.0
|
CE1
|
B:PHE522
|
4.2
|
26.8
|
1.0
|
CD
|
B:ARG459
|
4.2
|
31.1
|
1.0
|
CZ
|
B:ARG462
|
4.3
|
27.0
|
1.0
|
CB
|
B:ARG462
|
4.3
|
21.6
|
1.0
|
CG
|
B:ARG462
|
4.4
|
21.8
|
1.0
|
C
|
B:HIS458
|
4.4
|
29.3
|
1.0
|
CA
|
B:ARG459
|
4.4
|
27.3
|
1.0
|
OH
|
B:TYR590
|
4.5
|
29.5
|
1.0
|
NE
|
B:ARG462
|
4.5
|
27.5
|
1.0
|
O
|
B:HOH2052
|
4.6
|
30.6
|
1.0
|
CD1
|
B:TYR603
|
4.7
|
28.8
|
1.0
|
CE2
|
B:TYR603
|
4.9
|
28.0
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 4bb7
Go back to
Chlorine Binding Sites List in 4bb7
Chlorine binding site 6 out
of 8 in the Crystal Structure of the Yeast RSC2 Bah Domain
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 the Yeast RSC2 Bah Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl801
b:13.3
occ:1.00
|
OH
|
C:TYR603
|
3.2
|
12.1
|
1.0
|
O
|
C:HOH2041
|
3.4
|
12.8
|
1.0
|
N
|
C:ARG459
|
3.4
|
6.8
|
1.0
|
NH1
|
C:ARG462
|
3.5
|
6.8
|
1.0
|
CE1
|
C:TYR603
|
3.6
|
14.7
|
1.0
|
CD
|
C:ARG462
|
3.6
|
7.4
|
1.0
|
O
|
C:HOH2100
|
3.7
|
18.5
|
1.0
|
CB
|
C:HIS458
|
3.9
|
8.0
|
1.0
|
CZ
|
C:TYR603
|
3.9
|
12.2
|
1.0
|
CD1
|
C:PHE522
|
3.9
|
9.1
|
1.0
|
CE1
|
C:PHE522
|
3.9
|
9.4
|
1.0
|
CB
|
C:ARG459
|
4.0
|
8.7
|
1.0
|
CA
|
C:HIS458
|
4.0
|
7.7
|
1.0
|
O
|
C:HOH2139
|
4.1
|
33.4
|
1.0
|
CG
|
C:ARG459
|
4.1
|
9.1
|
1.0
|
CD
|
C:ARG459
|
4.2
|
11.0
|
1.0
|
C
|
C:HIS458
|
4.2
|
8.2
|
1.0
|
CZ
|
C:ARG462
|
4.3
|
6.8
|
1.0
|
CA
|
C:ARG459
|
4.3
|
8.9
|
1.0
|
NE
|
C:ARG462
|
4.4
|
5.8
|
1.0
|
CG
|
C:ARG462
|
4.5
|
8.8
|
1.0
|
CB
|
C:ARG462
|
4.5
|
5.8
|
1.0
|
OH
|
C:TYR590
|
4.5
|
14.3
|
1.0
|
CD1
|
C:TYR603
|
4.8
|
10.7
|
1.0
|
CG
|
C:PHE522
|
5.0
|
8.4
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 4bb7
Go back to
Chlorine Binding Sites List in 4bb7
Chlorine binding site 7 out
of 8 in the Crystal Structure of the Yeast RSC2 Bah Domain
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of the Yeast RSC2 Bah Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl703
b:14.2
occ:1.00
|
O
|
D:HOH2043
|
3.3
|
13.4
|
1.0
|
OH
|
D:TYR603
|
3.4
|
12.2
|
1.0
|
N
|
D:ARG459
|
3.4
|
7.6
|
1.0
|
NH1
|
D:ARG462
|
3.5
|
18.8
|
1.0
|
CD
|
D:ARG462
|
3.6
|
6.5
|
1.0
|
CB
|
D:HIS458
|
3.8
|
9.0
|
1.0
|
O
|
D:HOH2097
|
3.8
|
15.8
|
1.0
|
CE1
|
D:TYR603
|
3.8
|
11.8
|
1.0
|
CE1
|
D:PHE522
|
3.9
|
11.0
|
1.0
|
CA
|
D:HIS458
|
3.9
|
9.0
|
1.0
|
CD1
|
D:PHE522
|
3.9
|
10.2
|
1.0
|
CG
|
D:ARG459
|
4.0
|
10.9
|
1.0
|
CB
|
D:ARG459
|
4.0
|
7.2
|
1.0
|
CZ
|
D:TYR603
|
4.1
|
10.3
|
1.0
|
CD
|
D:ARG459
|
4.2
|
12.3
|
1.0
|
C
|
D:HIS458
|
4.2
|
10.6
|
1.0
|
CZ
|
D:ARG462
|
4.3
|
8.7
|
1.0
|
NE
|
D:ARG462
|
4.3
|
5.4
|
1.0
|
CA
|
D:ARG459
|
4.3
|
9.1
|
1.0
|
OH
|
D:TYR590
|
4.4
|
13.8
|
1.0
|
CG
|
D:ARG462
|
4.5
|
6.2
|
1.0
|
CB
|
D:ARG462
|
4.5
|
7.2
|
1.0
|
CZ
|
D:PHE522
|
4.9
|
7.7
|
1.0
|
CG
|
D:PHE522
|
5.0
|
10.4
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 4bb7
Go back to
Chlorine Binding Sites List in 4bb7
Chlorine binding site 8 out
of 8 in the Crystal Structure of the Yeast RSC2 Bah Domain
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of the Yeast RSC2 Bah Domain within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl704
b:49.1
occ:1.00
|
O
|
D:HOH2164
|
2.4
|
30.0
|
1.0
|
OG1
|
D:THR631
|
3.4
|
14.1
|
1.0
|
CG2
|
D:THR633
|
3.4
|
25.0
|
1.0
|
NH2
|
D:ARG549
|
3.6
|
13.1
|
1.0
|
OG1
|
D:THR633
|
3.6
|
31.8
|
1.0
|
NE
|
D:ARG549
|
4.0
|
13.2
|
1.0
|
CB
|
D:THR631
|
4.0
|
17.6
|
1.0
|
CB
|
D:THR633
|
4.1
|
27.1
|
1.0
|
CZ
|
D:ARG549
|
4.2
|
18.7
|
1.0
|
O
|
D:THR631
|
4.4
|
16.7
|
1.0
|
C
|
D:THR631
|
4.4
|
18.5
|
1.0
|
N
|
D:THR633
|
4.4
|
21.6
|
1.0
|
N
|
D:ILE632
|
4.6
|
15.3
|
1.0
|
CB
|
D:ASP626
|
4.7
|
16.1
|
1.0
|
C
|
D:ILE632
|
4.7
|
21.1
|
1.0
|
CA
|
D:ILE632
|
4.9
|
20.5
|
1.0
|
CA
|
D:THR633
|
4.9
|
26.6
|
1.0
|
CA
|
D:THR631
|
4.9
|
15.9
|
1.0
|
CG1
|
D:VAL546
|
5.0
|
25.1
|
1.0
|
|
Reference:
A.L.Chambers,
L.H.Pearl,
A.W.Oliver,
J.A.Downs.
The Bah Domain of RSC2 Is A Histone H3 Binding Domain. Nucleic Acids Res. V. 41 9168 2013.
ISSN: ISSN 0305-1048
PubMed: 23907388
DOI: 10.1093/NAR/GKT662
Page generated: Sun Jul 21 09:55:30 2024
|