Sodium in PDB 5hz7: High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp
Protein crystallography data
The structure of High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp, PDB code: 5hz7
was solved by
J.-L.Berry,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
58.05 /
1.43
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
63.570,
68.440,
109.580,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
15.7 /
19.1
|
Sodium Binding Sites:
The binding sites of Sodium atom in the High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp
(pdb code 5hz7). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 5 binding sites of Sodium where determined in the
High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp, PDB code: 5hz7:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
Sodium binding site 1 out
of 5 in 5hz7
Go back to
Sodium Binding Sites List in 5hz7
Sodium binding site 1 out
of 5 in the High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na505
b:36.9
occ:1.00
|
H
|
A:ALA83
|
1.9
|
30.2
|
1.0
|
O
|
A:HOH1078
|
2.7
|
46.9
|
1.0
|
N
|
A:ALA83
|
2.8
|
25.2
|
1.0
|
O
|
A:HOH1197
|
2.8
|
54.9
|
1.0
|
HB3
|
A:ALA83
|
2.8
|
36.6
|
1.0
|
OE1
|
A:GLU282
|
2.8
|
24.2
|
1.0
|
HZ2
|
A:LYS278
|
3.0
|
23.0
|
0.3
|
HA
|
A:PRO82
|
3.1
|
29.7
|
1.0
|
HB2
|
A:ALA83
|
3.1
|
36.6
|
1.0
|
CB
|
A:ALA83
|
3.3
|
30.5
|
1.0
|
HB3
|
A:PHE86
|
3.3
|
27.3
|
1.0
|
HB2
|
A:PHE86
|
3.4
|
27.3
|
1.0
|
CD
|
A:GLU282
|
3.5
|
22.2
|
1.0
|
OE2
|
A:GLU282
|
3.6
|
22.2
|
1.0
|
CA
|
A:ALA83
|
3.6
|
28.0
|
1.0
|
HE2
|
A:LYS278
|
3.7
|
27.0
|
0.2
|
C
|
A:PRO82
|
3.7
|
25.4
|
1.0
|
HZ1
|
A:LYS278
|
3.7
|
23.0
|
0.3
|
CA
|
A:PRO82
|
3.7
|
24.8
|
1.0
|
NZ
|
A:LYS278
|
3.7
|
19.2
|
0.3
|
CB
|
A:PHE86
|
3.8
|
22.8
|
1.0
|
O
|
A:HOH813
|
3.9
|
28.7
|
1.0
|
HB2
|
A:PRO82
|
4.1
|
30.6
|
1.0
|
HE3
|
A:LYS278
|
4.1
|
23.8
|
0.3
|
HZ3
|
A:LYS278
|
4.2
|
27.6
|
0.2
|
HB1
|
A:ALA83
|
4.2
|
36.6
|
1.0
|
CB
|
A:PRO82
|
4.3
|
25.5
|
1.0
|
HA
|
A:ALA83
|
4.3
|
33.6
|
1.0
|
HB3
|
A:PRO82
|
4.4
|
30.6
|
1.0
|
HZ3
|
A:LYS278
|
4.4
|
23.0
|
0.3
|
CG
|
A:PHE86
|
4.5
|
21.4
|
1.0
|
O
|
A:ALA83
|
4.5
|
27.8
|
1.0
|
CE
|
A:LYS278
|
4.5
|
19.9
|
0.3
|
CE
|
A:LYS278
|
4.5
|
22.5
|
0.2
|
C
|
A:ALA83
|
4.5
|
28.4
|
1.0
|
H
|
A:PHE86
|
4.5
|
29.9
|
1.0
|
HE3
|
A:LYS278
|
4.7
|
27.0
|
0.2
|
NZ
|
A:LYS278
|
4.7
|
23.0
|
0.2
|
HE2
|
A:LYS278
|
4.8
|
23.8
|
0.3
|
HZ1
|
A:LYS278
|
4.8
|
27.6
|
0.2
|
O
|
A:THR81
|
4.8
|
25.3
|
1.0
|
O
|
A:HOH804
|
4.9
|
48.4
|
1.0
|
HD2
|
A:PHE86
|
4.9
|
25.5
|
1.0
|
O
|
A:PRO82
|
4.9
|
26.3
|
1.0
|
CG
|
A:GLU282
|
5.0
|
20.5
|
1.0
|
CD2
|
A:PHE86
|
5.0
|
21.3
|
1.0
|
|
Sodium binding site 2 out
of 5 in 5hz7
Go back to
Sodium Binding Sites List in 5hz7
Sodium binding site 2 out
of 5 in the High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na506
b:31.1
occ:1.00
|
H
|
A:LEU104
|
2.1
|
21.9
|
1.0
|
OE2
|
A:GLU79
|
2.7
|
24.6
|
1.0
|
O
|
A:ILE80
|
2.8
|
21.8
|
1.0
|
O
|
A:HOH1252
|
2.8
|
30.7
|
1.0
|
N
|
A:LEU104
|
2.9
|
18.2
|
1.0
|
HB2
|
A:LEU104
|
3.0
|
20.8
|
1.0
|
HG3
|
A:GLU79
|
3.0
|
26.4
|
1.0
|
HA
|
A:LYS103
|
3.1
|
26.1
|
1.0
|
HG2
|
A:GLU79
|
3.1
|
26.4
|
1.0
|
HG
|
A:LEU104
|
3.2
|
20.9
|
1.0
|
CG
|
A:GLU79
|
3.4
|
22.0
|
1.0
|
CD
|
A:GLU79
|
3.5
|
24.5
|
1.0
|
HG22
|
A:THR81
|
3.5
|
32.5
|
1.0
|
CB
|
A:LEU104
|
3.6
|
17.3
|
1.0
|
HB3
|
A:LYS103
|
3.7
|
29.3
|
1.0
|
HD12
|
A:LEU104
|
3.7
|
23.9
|
1.0
|
CA
|
A:LEU104
|
3.7
|
17.5
|
1.0
|
CA
|
A:LYS103
|
3.8
|
21.8
|
1.0
|
CG
|
A:LEU104
|
3.8
|
17.5
|
1.0
|
C
|
A:LYS103
|
3.8
|
19.3
|
1.0
|
O
|
A:LEU104
|
3.9
|
18.7
|
1.0
|
C
|
A:ILE80
|
4.0
|
22.5
|
1.0
|
HG23
|
A:THR81
|
4.0
|
32.5
|
1.0
|
HA
|
A:THR81
|
4.0
|
29.0
|
1.0
|
H
|
A:ILE80
|
4.1
|
23.7
|
1.0
|
CB
|
A:LYS103
|
4.2
|
24.4
|
1.0
|
CG2
|
A:THR81
|
4.2
|
27.1
|
1.0
|
CD1
|
A:LEU104
|
4.2
|
19.9
|
1.0
|
HG2
|
A:LYS103
|
4.3
|
34.0
|
1.0
|
O
|
A:HOH645
|
4.3
|
52.4
|
1.0
|
C
|
A:LEU104
|
4.3
|
18.3
|
1.0
|
O
|
A:HOH1232
|
4.4
|
46.6
|
1.0
|
HB3
|
A:LEU104
|
4.5
|
20.8
|
1.0
|
N
|
A:ILE80
|
4.5
|
19.8
|
1.0
|
O
|
A:HOH808
|
4.6
|
27.3
|
1.0
|
HA
|
A:LEU104
|
4.6
|
21.0
|
1.0
|
OE1
|
A:GLU79
|
4.7
|
25.9
|
1.0
|
HD11
|
A:LEU104
|
4.7
|
23.9
|
1.0
|
CA
|
A:THR81
|
4.8
|
24.1
|
1.0
|
N
|
A:THR81
|
4.8
|
22.1
|
1.0
|
CG
|
A:LYS103
|
4.8
|
28.3
|
1.0
|
O
|
A:GLY102
|
4.8
|
26.6
|
1.0
|
HD2
|
A:PRO82
|
4.8
|
31.1
|
1.0
|
CA
|
A:ILE80
|
4.9
|
21.9
|
1.0
|
HG21
|
A:THR81
|
4.9
|
32.5
|
1.0
|
CB
|
A:GLU79
|
4.9
|
21.0
|
1.0
|
HB
|
A:ILE80
|
4.9
|
25.2
|
1.0
|
O
|
A:HOH989
|
4.9
|
40.9
|
1.0
|
O
|
A:HOH1000
|
5.0
|
39.5
|
1.0
|
HD13
|
A:LEU104
|
5.0
|
23.9
|
1.0
|
|
Sodium binding site 3 out
of 5 in 5hz7
Go back to
Sodium Binding Sites List in 5hz7
Sodium binding site 3 out
of 5 in the High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na507
b:29.4
occ:1.00
|
H
|
A:GLY301
|
2.3
|
24.5
|
1.0
|
HD11
|
A:ILE318
|
2.5
|
27.9
|
1.0
|
OD1
|
A:ASN295
|
2.7
|
19.9
|
1.0
|
O
|
A:GLY301
|
2.8
|
20.4
|
1.0
|
O
|
A:HOH948
|
2.9
|
25.9
|
1.0
|
H
|
A:LEU300
|
3.0
|
20.9
|
1.0
|
N
|
A:GLY301
|
3.0
|
20.4
|
1.0
|
HB3
|
A:PRO299
|
3.1
|
23.2
|
1.0
|
HD13
|
A:LEU312
|
3.1
|
25.0
|
1.0
|
HD21
|
A:ASN295
|
3.4
|
22.6
|
1.0
|
CD1
|
A:ILE318
|
3.4
|
23.2
|
1.0
|
N
|
A:LEU300
|
3.4
|
17.4
|
1.0
|
HD12
|
A:ILE318
|
3.5
|
27.9
|
1.0
|
HA2
|
A:GLY301
|
3.5
|
26.3
|
1.0
|
C
|
A:GLY301
|
3.6
|
21.1
|
1.0
|
CA
|
A:GLY301
|
3.6
|
21.9
|
1.0
|
CG
|
A:ASN295
|
3.6
|
18.6
|
1.0
|
HA
|
A:PRO299
|
3.7
|
22.3
|
1.0
|
HD22
|
A:LEU312
|
3.7
|
26.4
|
1.0
|
HB2
|
A:LEU300
|
3.8
|
21.9
|
1.0
|
CB
|
A:PRO299
|
3.8
|
19.3
|
1.0
|
ND2
|
A:ASN295
|
3.8
|
18.9
|
1.0
|
CD1
|
A:LEU312
|
4.0
|
20.8
|
1.0
|
HD13
|
A:ILE318
|
4.0
|
27.9
|
1.0
|
HZ3
|
A:TRP233
|
4.0
|
22.1
|
1.0
|
C
|
A:LEU300
|
4.0
|
19.8
|
1.0
|
C
|
A:PRO299
|
4.0
|
18.4
|
1.0
|
CA
|
A:PRO299
|
4.0
|
18.6
|
1.0
|
HB2
|
A:PRO299
|
4.0
|
23.2
|
1.0
|
HG13
|
A:ILE318
|
4.1
|
24.9
|
1.0
|
HD11
|
A:LEU312
|
4.1
|
25.0
|
1.0
|
CA
|
A:LEU300
|
4.2
|
17.2
|
1.0
|
CG1
|
A:ILE318
|
4.3
|
20.7
|
1.0
|
HB3
|
A:LEU312
|
4.4
|
24.8
|
1.0
|
CB
|
A:LEU300
|
4.5
|
18.2
|
1.0
|
CD2
|
A:LEU312
|
4.5
|
22.0
|
1.0
|
HB3
|
A:PRO230
|
4.5
|
22.5
|
1.0
|
HA3
|
A:GLY301
|
4.5
|
26.3
|
1.0
|
HD12
|
A:LEU312
|
4.6
|
25.0
|
1.0
|
HG12
|
A:ILE318
|
4.6
|
24.9
|
1.0
|
HD21
|
A:LEU312
|
4.6
|
26.4
|
1.0
|
HD22
|
A:ASN295
|
4.7
|
22.6
|
1.0
|
CG
|
A:LEU312
|
4.7
|
20.2
|
1.0
|
HG13
|
A:VAL303
|
4.7
|
24.2
|
1.0
|
CZ3
|
A:TRP233
|
4.7
|
18.4
|
1.0
|
N
|
A:ALA302
|
4.8
|
21.6
|
1.0
|
HB2
|
A:PRO230
|
5.0
|
22.5
|
1.0
|
O
|
A:PRO299
|
5.0
|
18.8
|
1.0
|
CB
|
A:ASN295
|
5.0
|
18.7
|
1.0
|
|
Sodium binding site 4 out
of 5 in 5hz7
Go back to
Sodium Binding Sites List in 5hz7
Sodium binding site 4 out
of 5 in the High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na508
b:32.8
occ:1.00
|
H
|
A:TYR177
|
2.4
|
27.9
|
1.0
|
O
|
A:HOH770
|
2.8
|
41.5
|
1.0
|
HD2
|
A:TYR177
|
2.8
|
27.3
|
1.0
|
HA
|
A:LYS176
|
2.9
|
30.7
|
1.0
|
HB2
|
A:LYS176
|
3.0
|
34.6
|
1.0
|
O
|
A:HOH767
|
3.1
|
27.6
|
1.0
|
N
|
A:TYR177
|
3.2
|
23.3
|
1.0
|
HG21
|
A:ILE334
|
3.5
|
23.7
|
1.0
|
CA
|
A:LYS176
|
3.5
|
25.6
|
1.0
|
HB2
|
A:TYR177
|
3.5
|
26.9
|
1.0
|
CB
|
A:LYS176
|
3.6
|
28.8
|
1.0
|
CD2
|
A:TYR177
|
3.6
|
22.8
|
1.0
|
O
|
A:HOH1059
|
3.8
|
41.3
|
1.0
|
C
|
A:LYS176
|
3.9
|
23.7
|
1.0
|
HB3
|
A:LYS176
|
3.9
|
34.6
|
1.0
|
HG22
|
A:ILE334
|
3.9
|
23.7
|
1.0
|
CG2
|
A:ILE334
|
4.0
|
19.8
|
1.0
|
CB
|
A:TYR177
|
4.1
|
22.5
|
1.0
|
HG23
|
A:ILE334
|
4.2
|
23.7
|
1.0
|
O
|
A:HOH737
|
4.2
|
32.7
|
1.0
|
CA
|
A:TYR177
|
4.2
|
23.4
|
1.0
|
CG
|
A:TYR177
|
4.3
|
22.4
|
1.0
|
HE2
|
A:TYR172
|
4.3
|
32.4
|
1.0
|
HE2
|
A:TYR177
|
4.5
|
28.5
|
1.0
|
CE2
|
A:TYR177
|
4.5
|
23.7
|
1.0
|
O
|
A:TYR177
|
4.6
|
25.5
|
1.0
|
O
|
A:GLY175
|
4.7
|
28.7
|
1.0
|
O
|
A:HOH793
|
4.8
|
42.2
|
1.0
|
N
|
A:LYS176
|
4.8
|
26.8
|
1.0
|
HD2
|
A:TYR172
|
4.9
|
31.3
|
1.0
|
C
|
A:TYR177
|
4.9
|
24.2
|
1.0
|
CG
|
A:LYS176
|
4.9
|
31.1
|
1.0
|
HD13
|
A:ILE334
|
5.0
|
27.2
|
1.0
|
HA
|
A:TYR177
|
5.0
|
28.0
|
1.0
|
|
Sodium binding site 5 out
of 5 in 5hz7
Go back to
Sodium Binding Sites List in 5hz7
Sodium binding site 5 out
of 5 in the High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of High-Resolution Crystal Structure of the Minor Dna-Binding Pilin Comp From Neisseria Meningitidis in Fusion with Mbp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na509
b:58.8
occ:1.00
|
O
|
A:HOH1229
|
2.3
|
52.5
|
1.0
|
O
|
A:HOH898
|
2.5
|
41.4
|
1.0
|
O
|
A:HOH1195
|
2.7
|
50.8
|
1.0
|
O
|
A:ALA319
|
2.7
|
19.9
|
1.0
|
HB2
|
A:GLU323
|
3.0
|
29.1
|
1.0
|
HB2
|
A:MET322
|
3.2
|
27.4
|
0.6
|
HB1
|
A:ALA319
|
3.3
|
25.5
|
1.0
|
HE3
|
A:MET322
|
3.4
|
35.3
|
0.6
|
H
|
A:GLU323
|
3.4
|
25.1
|
1.0
|
HA
|
A:ALA319
|
3.5
|
24.5
|
1.0
|
C
|
A:ALA319
|
3.5
|
19.2
|
1.0
|
N
|
A:GLU323
|
3.7
|
20.9
|
1.0
|
HB2
|
A:MET322
|
3.7
|
28.5
|
0.4
|
HA
|
A:GLU323
|
3.8
|
25.8
|
1.0
|
CB
|
A:GLU323
|
3.8
|
24.2
|
1.0
|
CA
|
A:ALA319
|
3.9
|
20.4
|
1.0
|
CA
|
A:GLU323
|
4.0
|
21.5
|
1.0
|
CB
|
A:MET322
|
4.0
|
22.8
|
0.6
|
HB3
|
A:MET322
|
4.0
|
27.4
|
0.6
|
CB
|
A:ALA319
|
4.1
|
21.2
|
1.0
|
C
|
A:MET322
|
4.2
|
21.1
|
0.4
|
CE
|
A:MET322
|
4.3
|
29.4
|
0.6
|
C
|
A:MET322
|
4.3
|
19.7
|
0.6
|
HB3
|
A:MET322
|
4.3
|
28.5
|
0.4
|
HE1
|
A:MET322
|
4.4
|
35.3
|
0.6
|
O
|
A:HOH1069
|
4.4
|
52.8
|
1.0
|
CB
|
A:MET322
|
4.4
|
23.8
|
0.4
|
HB3
|
A:GLU323
|
4.5
|
29.1
|
1.0
|
HG3
|
A:GLU323
|
4.5
|
34.5
|
1.0
|
HB2
|
A:ALA319
|
4.6
|
25.5
|
1.0
|
HA
|
A:ALA320
|
4.7
|
22.8
|
1.0
|
N
|
A:ALA320
|
4.7
|
19.1
|
1.0
|
CG
|
A:GLU323
|
4.7
|
28.7
|
1.0
|
CA
|
A:MET322
|
4.7
|
19.9
|
0.6
|
HE2
|
A:MET322
|
4.7
|
35.3
|
0.6
|
OE1
|
A:GLN326
|
4.7
|
30.8
|
1.0
|
HB3
|
A:ALA319
|
4.7
|
25.5
|
1.0
|
H
|
A:MET322
|
4.8
|
23.6
|
0.4
|
CA
|
A:MET322
|
4.8
|
21.4
|
0.4
|
OE1
|
A:GLU323
|
4.8
|
35.2
|
1.0
|
H
|
A:MET322
|
4.8
|
22.3
|
0.6
|
O
|
A:MET322
|
4.8
|
21.9
|
0.4
|
HE22
|
A:GLN326
|
4.9
|
37.3
|
1.0
|
O
|
A:HOH759
|
4.9
|
36.5
|
1.0
|
|
Reference:
J.L.Berry,
Y.Xu,
P.N.Ward,
S.M.Lea,
S.J.Matthews,
V.Pelicic.
A Comparative Structure/Function Analysis of Two Type IV Pilin Dna Receptors Defines A Novel Mode of Dna Binding. Structure V. 24 926 2016.
ISSN: ISSN 0969-2126
PubMed: 27161979
DOI: 10.1016/J.STR.2016.04.001
Page generated: Mon Oct 7 21:30:02 2024
|