Chlorine in PDB 6vhx: Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn
Protein crystallography data
The structure of Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn, PDB code: 6vhx
was solved by
D.F.Kreitler,
A.M.Gulick,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
60.79 /
1.70
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.073,
60.233,
79.960,
90.00,
101.55,
90.00
|
R / Rfree (%)
|
19.1 /
21.7
|
Other elements in 6vhx:
The structure of Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn
(pdb code 6vhx). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the
Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn, PDB code: 6vhx:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 6vhx
Go back to
Chlorine Binding Sites List in 6vhx
Chlorine binding site 1 out
of 5 in the Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl503
b:32.4
occ:1.00
|
O
|
A:HOH715
|
2.7
|
45.1
|
1.0
|
OG
|
A:SER362
|
2.9
|
43.7
|
1.0
|
N
|
A:SER168
|
3.3
|
30.4
|
1.0
|
N
|
A:ASP363
|
3.4
|
35.0
|
1.0
|
N
|
A:SER362
|
3.6
|
33.8
|
1.0
|
CB
|
A:TYR361
|
3.7
|
27.4
|
1.0
|
CB
|
A:ASP363
|
3.7
|
41.7
|
1.0
|
O
|
A:SER168
|
3.8
|
27.4
|
1.0
|
CA
|
A:LYS167
|
3.9
|
32.6
|
1.0
|
CB
|
A:SER362
|
4.0
|
41.0
|
1.0
|
CA
|
A:SER362
|
4.1
|
37.1
|
1.0
|
C
|
A:LYS167
|
4.1
|
30.1
|
1.0
|
CA
|
A:SER168
|
4.1
|
28.7
|
1.0
|
C
|
A:SER362
|
4.1
|
36.2
|
1.0
|
CB
|
A:SER168
|
4.1
|
32.8
|
1.0
|
CA
|
A:ASP363
|
4.2
|
38.3
|
1.0
|
CB
|
A:LYS167
|
4.3
|
37.0
|
1.0
|
C
|
A:TYR361
|
4.4
|
30.5
|
1.0
|
CG
|
A:TYR361
|
4.4
|
28.5
|
1.0
|
C
|
A:SER168
|
4.4
|
26.4
|
1.0
|
CA
|
A:TYR361
|
4.4
|
26.6
|
1.0
|
O
|
A:HOH677
|
4.5
|
45.6
|
1.0
|
CD1
|
A:TYR361
|
4.6
|
28.7
|
1.0
|
CG
|
A:LYS167
|
4.7
|
40.7
|
1.0
|
O
|
A:PRO166
|
4.8
|
36.5
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 6vhx
Go back to
Chlorine Binding Sites List in 6vhx
Chlorine binding site 2 out
of 5 in the Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl504
b:30.4
occ:1.00
|
O
|
A:HOH621
|
3.2
|
50.2
|
1.0
|
N
|
A:ASP26
|
3.4
|
29.3
|
1.0
|
CD
|
A:PRO25
|
3.7
|
30.6
|
1.0
|
C
|
A:PHE24
|
3.7
|
30.8
|
1.0
|
CA
|
A:PHE24
|
3.7
|
31.4
|
1.0
|
CB
|
A:ASP26
|
3.7
|
35.6
|
1.0
|
N
|
A:PRO25
|
3.8
|
28.1
|
1.0
|
CA
|
A:ASP26
|
3.9
|
27.6
|
1.0
|
N
|
A:ARG27
|
4.0
|
28.0
|
1.0
|
C
|
A:ASP26
|
4.2
|
26.4
|
1.0
|
O
|
A:PHE24
|
4.2
|
26.8
|
1.0
|
CG
|
A:ARG27
|
4.2
|
28.4
|
1.0
|
O
|
A:ARG23
|
4.3
|
37.6
|
1.0
|
CG
|
A:PRO25
|
4.4
|
31.2
|
1.0
|
C
|
A:PRO25
|
4.5
|
30.9
|
1.0
|
OD2
|
A:ASP26
|
4.5
|
42.4
|
1.0
|
CB
|
A:PHE24
|
4.6
|
30.2
|
1.0
|
CG
|
A:ASP26
|
4.7
|
40.9
|
1.0
|
CA
|
A:PRO25
|
4.7
|
27.1
|
1.0
|
N
|
A:PHE24
|
4.7
|
29.3
|
1.0
|
CD1
|
A:PHE24
|
4.8
|
30.4
|
1.0
|
C
|
A:ARG23
|
4.9
|
35.2
|
1.0
|
|
Chlorine binding site 3 out
of 5 in 6vhx
Go back to
Chlorine Binding Sites List in 6vhx
Chlorine binding site 3 out
of 5 in the Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl505
b:30.8
occ:1.00
|
NH1
|
A:ARG98
|
3.2
|
40.1
|
1.0
|
CB
|
A:ARG98
|
3.2
|
45.9
|
1.0
|
N
|
A:ARG98
|
3.2
|
40.0
|
1.0
|
N
|
A:GLU97
|
3.8
|
38.3
|
1.0
|
CA
|
A:ARG98
|
3.9
|
40.4
|
1.0
|
CD
|
A:ARG98
|
3.9
|
38.5
|
1.0
|
CB
|
A:PRO96
|
4.0
|
45.6
|
1.0
|
CG
|
A:ARG98
|
4.2
|
49.0
|
1.0
|
CB
|
A:GLU97
|
4.2
|
46.5
|
1.0
|
C
|
A:GLU97
|
4.2
|
36.6
|
1.0
|
CZ
|
A:ARG98
|
4.3
|
44.3
|
1.0
|
C
|
A:PRO96
|
4.3
|
37.7
|
1.0
|
OE1
|
A:GLU97
|
4.3
|
66.9
|
1.0
|
CA
|
A:GLU97
|
4.3
|
39.4
|
1.0
|
CA
|
A:PRO96
|
4.5
|
42.2
|
1.0
|
NE
|
A:ARG98
|
4.6
|
39.4
|
1.0
|
CG
|
A:GLU97
|
4.9
|
52.3
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 6vhx
Go back to
Chlorine Binding Sites List in 6vhx
Chlorine binding site 4 out
of 5 in the Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl506
b:25.3
occ:1.00
|
O
|
A:HOH659
|
3.7
|
41.3
|
1.0
|
CG
|
A:LYS165
|
4.3
|
40.1
|
1.0
|
CA
|
A:LYS165
|
4.4
|
40.6
|
1.0
|
CB
|
A:LYS165
|
4.4
|
40.2
|
1.0
|
CD
|
A:PRO166
|
4.6
|
42.5
|
1.0
|
NZ
|
A:LYS165
|
4.7
|
41.1
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 6vhx
Go back to
Chlorine Binding Sites List in 6vhx
Chlorine binding site 5 out
of 5 in the Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Klebsiella Oxytoca Npsa N-Terminal Subdomain in Complex with 3- Hydroxyanthranilyl-Amsn within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl504
b:31.1
occ:1.00
|
N
|
B:ARG70
|
3.3
|
24.9
|
1.0
|
O
|
B:HOH676
|
3.5
|
36.2
|
1.0
|
CA
|
B:PRO224
|
3.6
|
30.5
|
1.0
|
O
|
B:HOH601
|
3.6
|
53.1
|
1.0
|
CB
|
B:PRO224
|
3.7
|
32.2
|
1.0
|
NH1
|
B:ARG70
|
3.7
|
28.8
|
1.0
|
N
|
B:GLY225
|
3.8
|
29.9
|
1.0
|
CZ
|
B:ARG70
|
3.8
|
30.7
|
1.0
|
CA
|
B:GLU69
|
3.9
|
28.4
|
0.5
|
CA
|
B:GLU69
|
3.9
|
28.4
|
0.5
|
O
|
B:HOH722
|
3.9
|
30.1
|
1.0
|
CG
|
B:ARG70
|
3.9
|
23.7
|
1.0
|
CB
|
B:ARG70
|
4.1
|
24.2
|
1.0
|
NH2
|
B:ARG70
|
4.1
|
32.3
|
1.0
|
C
|
B:GLU69
|
4.1
|
26.4
|
0.5
|
C
|
B:GLU69
|
4.1
|
26.4
|
0.5
|
CB
|
B:GLU69
|
4.1
|
29.6
|
0.5
|
CB
|
B:GLU69
|
4.2
|
29.5
|
0.5
|
O
|
B:HOH702
|
4.2
|
44.0
|
1.0
|
NE
|
B:ARG70
|
4.3
|
25.6
|
1.0
|
C
|
B:PRO224
|
4.3
|
30.9
|
1.0
|
CA
|
B:ARG70
|
4.3
|
24.8
|
1.0
|
CB
|
B:SER93
|
4.3
|
46.7
|
1.0
|
CG
|
B:GLU69
|
4.5
|
31.4
|
0.5
|
OG
|
B:SER93
|
4.5
|
44.1
|
1.0
|
CD
|
B:ARG70
|
4.7
|
24.2
|
1.0
|
N
|
B:PRO224
|
4.8
|
29.2
|
1.0
|
CA
|
B:GLY225
|
4.9
|
33.1
|
1.0
|
|
Reference:
E.M.Alexander,
D.F.Kreitler,
V.Guidolin,
A.K.Hurben,
E.J.Drake,
P.W.Villalta,
S.Balbo,
A.M.Gulick,
C.C.Aldrich.
Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced By the Opportunistic Pathogen Klebsiella Oxytoca. Acs Infect Dis. 2020.
ISSN: ESSN 2373-8227
PubMed: 32485104
DOI: 10.1021/ACSINFECDIS.0C00326
Page generated: Mon Jul 29 16:20:30 2024
|