Bromine in PDB 1n8b: Bacteriophage T4 Baseplate Structural Protein GP8
Protein crystallography data
The structure of Bacteriophage T4 Baseplate Structural Protein GP8, PDB code: 1n8b
was solved by
P.G.Leiman,
M.M.Shneider,
V.A.Kostyuchenko,
P.R.Chipman,
V.V.Mesyanzhinov,
M.G.Rossmann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.98 /
2.90
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
65.203,
65.766,
79.647,
93.04,
100.32,
91.93
|
R / Rfree (%)
|
22.2 /
30
|
Bromine Binding Sites:
Bromine binding site 1 out
of 40 in 1n8b
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Bromine Binding Sites List in 1n8b
Bromine binding site 1 out
of 40 in the Bacteriophage T4 Baseplate Structural Protein GP8
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Bacteriophage T4 Baseplate Structural Protein GP8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br335
b:51.2
occ:0.94
|
CD
|
A:PRO103
|
3.3
|
47.6
|
1.0
|
N
|
A:TYR104
|
3.3
|
49.4
|
1.0
|
OG1
|
A:THR105
|
3.4
|
50.9
|
1.0
|
N
|
A:THR105
|
3.5
|
53.0
|
1.0
|
CB
|
A:TYR104
|
3.7
|
47.9
|
1.0
|
N
|
A:PRO103
|
3.7
|
48.1
|
1.0
|
CA
|
A:TYR104
|
3.8
|
49.8
|
1.0
|
CB
|
A:THR105
|
3.8
|
52.0
|
1.0
|
CG
|
A:PRO103
|
3.9
|
47.2
|
1.0
|
C
|
A:TYR104
|
3.9
|
51.4
|
1.0
|
CA
|
A:ASP102
|
3.9
|
52.9
|
1.0
|
C
|
A:ASP102
|
4.1
|
50.4
|
1.0
|
CD2
|
A:TYR104
|
4.2
|
44.6
|
1.0
|
CA
|
A:THR105
|
4.3
|
53.1
|
1.0
|
C
|
A:PRO103
|
4.4
|
48.7
|
1.0
|
CG
|
A:TYR104
|
4.4
|
46.4
|
1.0
|
CA
|
A:PRO103
|
4.6
|
48.1
|
1.0
|
CB
|
A:ASP102
|
4.8
|
54.6
|
1.0
|
CB
|
A:ARG165
|
4.8
|
61.5
|
1.0
|
O
|
A:TYR104
|
4.9
|
52.0
|
1.0
|
N
|
A:ASP102
|
4.9
|
54.5
|
1.0
|
CB
|
A:PRO103
|
5.0
|
48.4
|
1.0
|
|
Bromine binding site 2 out
of 40 in 1n8b
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Bromine Binding Sites List in 1n8b
Bromine binding site 2 out
of 40 in the Bacteriophage T4 Baseplate Structural Protein GP8
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Bacteriophage T4 Baseplate Structural Protein GP8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br336
b:28.6
occ:0.54
|
O
|
A:HOH346
|
3.1
|
24.4
|
1.0
|
CB
|
A:PRO118
|
3.7
|
32.9
|
1.0
|
CG
|
A:PRO118
|
3.8
|
31.6
|
1.0
|
CD1
|
A:TYR119
|
3.9
|
26.7
|
1.0
|
CD
|
A:PRO118
|
4.0
|
30.5
|
1.0
|
N
|
A:TYR119
|
4.4
|
31.0
|
1.0
|
CE1
|
A:TYR119
|
4.5
|
25.2
|
1.0
|
N
|
A:PRO118
|
4.7
|
32.1
|
1.0
|
CA
|
A:PRO118
|
4.8
|
31.7
|
1.0
|
CG
|
A:TYR119
|
4.9
|
28.9
|
1.0
|
|
Bromine binding site 3 out
of 40 in 1n8b
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Bromine Binding Sites List in 1n8b
Bromine binding site 3 out
of 40 in the Bacteriophage T4 Baseplate Structural Protein GP8
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Bacteriophage T4 Baseplate Structural Protein GP8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br337
b:32.7
occ:0.55
|
ND2
|
B:ASN35
|
3.1
|
43.0
|
1.0
|
ND2
|
A:ASN23
|
3.2
|
22.3
|
1.0
|
ND2
|
A:ASN26
|
3.6
|
25.7
|
1.0
|
O
|
A:LEU22
|
3.7
|
18.3
|
1.0
|
CA
|
A:ASN23
|
3.7
|
21.7
|
1.0
|
N
|
A:ASN23
|
3.8
|
20.6
|
1.0
|
C
|
A:LEU22
|
3.8
|
20.7
|
1.0
|
CG
|
A:LEU22
|
3.8
|
25.9
|
1.0
|
CB
|
A:ASN26
|
3.9
|
22.9
|
1.0
|
CG
|
B:ASN35
|
4.0
|
41.7
|
1.0
|
OD1
|
B:ASN35
|
4.1
|
41.4
|
1.0
|
CG
|
A:ASN26
|
4.2
|
25.1
|
1.0
|
CD2
|
A:LEU22
|
4.2
|
28.6
|
1.0
|
CG
|
A:ASN23
|
4.3
|
25.5
|
1.0
|
CB
|
A:LEU22
|
4.4
|
25.4
|
1.0
|
CB
|
B:SER27
|
4.4
|
29.2
|
1.0
|
CB
|
A:ASN23
|
4.6
|
22.3
|
1.0
|
C
|
A:ASN23
|
4.7
|
20.5
|
1.0
|
CA
|
A:LEU22
|
4.8
|
22.6
|
1.0
|
O
|
A:ASN23
|
4.8
|
17.9
|
1.0
|
OG
|
B:SER27
|
4.9
|
30.3
|
1.0
|
OE1
|
A:GLU19
|
4.9
|
29.2
|
1.0
|
CD1
|
A:LEU22
|
5.0
|
24.3
|
1.0
|
|
Bromine binding site 4 out
of 40 in 1n8b
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Bromine Binding Sites List in 1n8b
Bromine binding site 4 out
of 40 in the Bacteriophage T4 Baseplate Structural Protein GP8
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Bacteriophage T4 Baseplate Structural Protein GP8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br338
b:27.4
occ:0.47
|
O
|
A:HOH349
|
3.0
|
43.0
|
1.0
|
N
|
A:GLU214
|
3.1
|
29.6
|
1.0
|
CB
|
A:GLU214
|
3.4
|
32.9
|
1.0
|
CD
|
A:PRO213
|
3.6
|
24.1
|
1.0
|
O
|
A:HOH416
|
3.6
|
44.6
|
1.0
|
N
|
A:PRO213
|
3.7
|
25.2
|
1.0
|
CB
|
A:TRP212
|
3.8
|
25.2
|
1.0
|
OD1
|
A:ASN26
|
3.8
|
26.4
|
1.0
|
CB
|
A:PRO213
|
3.9
|
22.7
|
1.0
|
CA
|
A:GLU214
|
3.9
|
32.3
|
1.0
|
ND2
|
A:ASN26
|
4.0
|
25.7
|
1.0
|
C
|
A:PRO213
|
4.1
|
26.9
|
1.0
|
CA
|
A:PRO213
|
4.1
|
25.8
|
1.0
|
CD1
|
A:LEU22
|
4.1
|
24.3
|
1.0
|
CG
|
A:PRO213
|
4.2
|
24.0
|
1.0
|
CE2
|
A:TYR25
|
4.2
|
24.5
|
1.0
|
C
|
A:TRP212
|
4.3
|
24.6
|
1.0
|
CG
|
A:ASN26
|
4.4
|
25.1
|
1.0
|
CD2
|
A:TYR25
|
4.4
|
24.2
|
1.0
|
BR
|
A:BR343
|
4.5
|
31.9
|
0.3
|
CA
|
A:TRP212
|
4.6
|
24.4
|
1.0
|
CG
|
A:GLU214
|
4.7
|
40.1
|
1.0
|
CG
|
A:TRP212
|
4.7
|
27.0
|
1.0
|
OE1
|
A:GLU214
|
4.8
|
45.2
|
1.0
|
O
|
A:TRP212
|
4.9
|
25.0
|
1.0
|
|
Bromine binding site 5 out
of 40 in 1n8b
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Bromine Binding Sites List in 1n8b
Bromine binding site 5 out
of 40 in the Bacteriophage T4 Baseplate Structural Protein GP8
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Bacteriophage T4 Baseplate Structural Protein GP8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br339
b:41.8
occ:0.69
|
NZ
|
A:LYS250
|
3.0
|
42.7
|
1.0
|
CB
|
A:ASN201
|
3.6
|
33.9
|
1.0
|
NH2
|
A:ARG202
|
3.6
|
24.5
|
1.0
|
ND2
|
A:ASN201
|
3.6
|
31.1
|
1.0
|
CE
|
A:LYS250
|
3.7
|
41.5
|
1.0
|
CG
|
A:ASN201
|
3.9
|
31.8
|
1.0
|
CD
|
A:ARG202
|
4.2
|
24.6
|
1.0
|
CD
|
A:LYS250
|
4.3
|
39.8
|
1.0
|
CZ
|
A:ARG202
|
4.6
|
24.7
|
1.0
|
OD1
|
A:ASN201
|
4.8
|
30.7
|
1.0
|
NE
|
A:ARG202
|
4.8
|
24.0
|
1.0
|
OH
|
A:TYR252
|
4.9
|
49.1
|
1.0
|
CA
|
A:ASN201
|
5.0
|
31.8
|
1.0
|
|
Bromine binding site 6 out
of 40 in 1n8b
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Bromine Binding Sites List in 1n8b
Bromine binding site 6 out
of 40 in the Bacteriophage T4 Baseplate Structural Protein GP8
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Bacteriophage T4 Baseplate Structural Protein GP8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br340
b:18.0
occ:0.44
|
OG
|
A:SER84
|
3.1
|
20.5
|
1.0
|
N
|
A:SER84
|
3.2
|
16.9
|
1.0
|
CB
|
A:SER84
|
3.3
|
18.5
|
1.0
|
CA
|
A:SER84
|
3.8
|
19.7
|
1.0
|
CD
|
A:PRO83
|
3.9
|
15.1
|
1.0
|
CB
|
A:LEU82
|
3.9
|
19.3
|
1.0
|
N
|
A:PRO83
|
4.0
|
18.8
|
1.0
|
CB
|
A:PRO83
|
4.1
|
12.6
|
1.0
|
C
|
A:PRO83
|
4.2
|
16.6
|
1.0
|
CA
|
A:PRO83
|
4.4
|
16.0
|
1.0
|
C
|
A:LEU82
|
4.4
|
19.7
|
1.0
|
CG
|
A:PRO83
|
4.4
|
13.8
|
1.0
|
CA
|
A:LEU82
|
4.7
|
19.4
|
1.0
|
CD2
|
A:LEU82
|
4.9
|
20.2
|
1.0
|
CG
|
A:LEU82
|
4.9
|
21.8
|
1.0
|
|
Bromine binding site 7 out
of 40 in 1n8b
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Bromine Binding Sites List in 1n8b
Bromine binding site 7 out
of 40 in the Bacteriophage T4 Baseplate Structural Protein GP8
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Bacteriophage T4 Baseplate Structural Protein GP8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br341
b:37.4
occ:0.51
|
N
|
A:LYS282
|
3.4
|
37.4
|
1.0
|
CE
|
A:MET303
|
3.7
|
41.3
|
1.0
|
CB
|
A:MET303
|
3.8
|
33.4
|
1.0
|
CA
|
A:MET303
|
3.8
|
33.2
|
1.0
|
CA
|
A:ALA281
|
3.9
|
35.1
|
1.0
|
CG
|
A:MET303
|
4.0
|
35.4
|
1.0
|
O
|
A:LYS282
|
4.2
|
46.8
|
1.0
|
C
|
A:ALA281
|
4.2
|
36.5
|
1.0
|
CB
|
A:LYS282
|
4.3
|
36.5
|
1.0
|
CA
|
A:LYS282
|
4.4
|
39.9
|
1.0
|
CB
|
A:ALA281
|
4.4
|
34.1
|
1.0
|
SD
|
A:MET303
|
4.7
|
39.9
|
1.0
|
CG
|
A:LYS282
|
4.7
|
34.3
|
1.0
|
N
|
A:MET303
|
4.7
|
33.9
|
1.0
|
C
|
A:LYS282
|
4.7
|
44.4
|
1.0
|
C
|
A:MET303
|
4.9
|
32.7
|
1.0
|
N
|
A:ARG304
|
4.9
|
31.6
|
1.0
|
O
|
A:GLU280
|
4.9
|
29.9
|
1.0
|
|
Bromine binding site 8 out
of 40 in 1n8b
Go back to
Bromine Binding Sites List in 1n8b
Bromine binding site 8 out
of 40 in the Bacteriophage T4 Baseplate Structural Protein GP8
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of Bacteriophage T4 Baseplate Structural Protein GP8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br342
b:40.2
occ:0.48
|
NE
|
A:ARG17
|
2.9
|
40.2
|
1.0
|
CD
|
A:ARG17
|
3.1
|
38.8
|
1.0
|
O
|
A:HOH378
|
3.1
|
31.0
|
1.0
|
CZ
|
A:ARG17
|
3.4
|
41.1
|
1.0
|
ND2
|
A:ASN245
|
3.8
|
32.0
|
1.0
|
NH2
|
A:ARG17
|
4.0
|
40.5
|
1.0
|
CB
|
A:SER14
|
4.0
|
38.9
|
1.0
|
NH1
|
A:ARG17
|
4.1
|
41.8
|
1.0
|
CA
|
A:SER14
|
4.2
|
38.6
|
1.0
|
CG
|
A:ARG17
|
4.5
|
36.8
|
1.0
|
O
|
A:SER14
|
4.7
|
37.1
|
1.0
|
CB
|
A:ARG17
|
4.8
|
34.8
|
1.0
|
C
|
A:SER14
|
5.0
|
37.7
|
1.0
|
|
Bromine binding site 9 out
of 40 in 1n8b
Go back to
Bromine Binding Sites List in 1n8b
Bromine binding site 9 out
of 40 in the Bacteriophage T4 Baseplate Structural Protein GP8
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 9 of Bacteriophage T4 Baseplate Structural Protein GP8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br343
b:31.9
occ:0.32
|
OH
|
A:TYR25
|
3.1
|
30.8
|
1.0
|
O
|
A:HOH398
|
3.1
|
50.5
|
1.0
|
CB
|
A:GLU214
|
3.8
|
32.9
|
1.0
|
CE2
|
A:TYR25
|
3.8
|
24.5
|
1.0
|
CZ
|
A:TYR25
|
3.9
|
28.8
|
1.0
|
N
|
A:GLU215
|
4.0
|
34.1
|
1.0
|
CB
|
A:GLU215
|
4.2
|
34.6
|
1.0
|
BR
|
A:BR338
|
4.5
|
27.4
|
0.5
|
CB
|
A:TRP212
|
4.5
|
25.2
|
1.0
|
C
|
A:GLU214
|
4.6
|
34.6
|
1.0
|
CA
|
A:GLU215
|
4.6
|
34.2
|
1.0
|
CA
|
A:GLU214
|
4.7
|
32.3
|
1.0
|
CD1
|
A:TRP212
|
4.7
|
27.6
|
1.0
|
CG
|
A:GLU214
|
4.7
|
40.1
|
1.0
|
OE1
|
A:GLU215
|
4.7
|
36.9
|
1.0
|
CG
|
A:GLU215
|
4.8
|
35.0
|
1.0
|
CG
|
A:TRP212
|
4.9
|
27.0
|
1.0
|
|
Bromine binding site 10 out
of 40 in 1n8b
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Bromine Binding Sites List in 1n8b
Bromine binding site 10 out
of 40 in the Bacteriophage T4 Baseplate Structural Protein GP8
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 10 of Bacteriophage T4 Baseplate Structural Protein GP8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br335
b:43.8
occ:0.62
|
ND2
|
B:ASN109
|
3.4
|
55.7
|
1.0
|
N
|
A:VAL65
|
3.5
|
31.8
|
1.0
|
CG2
|
A:VAL65
|
3.5
|
25.3
|
1.0
|
O
|
B:HOH389
|
4.0
|
42.7
|
1.0
|
CB
|
A:SER64
|
4.0
|
33.5
|
1.0
|
CA
|
A:SER64
|
4.0
|
32.2
|
1.0
|
CB
|
A:VAL65
|
4.2
|
27.9
|
1.0
|
C
|
A:SER64
|
4.3
|
31.9
|
1.0
|
CG
|
B:ASN109
|
4.4
|
56.6
|
1.0
|
CA
|
A:VAL65
|
4.5
|
29.9
|
1.0
|
OD1
|
B:ASN109
|
4.5
|
57.7
|
1.0
|
O
|
A:HOH367
|
4.6
|
42.1
|
1.0
|
|
Reference:
P.G.Leiman,
M.M.Shneider,
V.A.Kostyuchenko,
P.R.Chipman,
V.V.Mesyanzhinov,
M.G.Rossmann.
Structure and Location of Gene Product 8 in the Bacteriophage T4 Baseplate J.Mol.Biol. V. 328 821 2003.
ISSN: ISSN 0022-2836
PubMed: 12729757
DOI: 10.1016/S0022-2836(03)00366-8
Page generated: Wed Jul 10 17:00:41 2024
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