Bromine in PDB 2xhy: Crystal Structure of E.Coli Bgla
Enzymatic activity of Crystal Structure of E.Coli Bgla
All present enzymatic activity of Crystal Structure of E.Coli Bgla:
3.2.1.86;
Protein crystallography data
The structure of Crystal Structure of E.Coli Bgla, PDB code: 2xhy
was solved by
M.Totir,
C.Zubieta,
N.Echols,
A.P.May,
C.L.Gee,
M.Nanao,
T.Alber,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
22.94 /
2.30
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
73.674,
79.424,
98.604,
99.96,
107.21,
102.83
|
R / Rfree (%)
|
17.1 /
23.6
|
Bromine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
19;
Binding sites:
The binding sites of Bromine atom in the Crystal Structure of E.Coli Bgla
(pdb code 2xhy). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 19 binding sites of Bromine where determined in the
Crystal Structure of E.Coli Bgla, PDB code: 2xhy:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Bromine binding site 1 out
of 19 in 2xhy
Go back to
Bromine Binding Sites List in 2xhy
Bromine binding site 1 out
of 19 in the Crystal Structure of E.Coli Bgla
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Crystal Structure of E.Coli Bgla within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br1480
b:81.9
occ:1.00
|
N
|
A:LYS53
|
3.4
|
29.2
|
1.0
|
CG
|
A:LYS53
|
3.8
|
32.0
|
1.0
|
CA
|
A:THR52
|
3.8
|
23.5
|
1.0
|
CB
|
A:THR52
|
3.9
|
22.7
|
1.0
|
CB
|
A:LYS53
|
4.0
|
33.3
|
1.0
|
C
|
A:THR52
|
4.1
|
24.5
|
1.0
|
CD
|
A:LYS53
|
4.1
|
46.3
|
1.0
|
CD1
|
A:LEU56
|
4.2
|
23.1
|
1.0
|
CA
|
A:LYS53
|
4.3
|
27.7
|
1.0
|
CG2
|
A:THR52
|
4.3
|
23.2
|
1.0
|
NZ
|
A:LYS53
|
4.4
|
61.9
|
1.0
|
O
|
A:HOH2057
|
4.5
|
37.9
|
1.0
|
CE
|
A:LYS53
|
4.9
|
58.9
|
1.0
|
|
Bromine binding site 2 out
of 19 in 2xhy
Go back to
Bromine Binding Sites List in 2xhy
Bromine binding site 2 out
of 19 in the Crystal Structure of E.Coli Bgla
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Crystal Structure of E.Coli Bgla within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br1482
b:80.0
occ:1.00
|
ND1
|
A:HIS450
|
3.4
|
20.3
|
1.0
|
CB
|
A:SER439
|
3.6
|
16.0
|
1.0
|
CB
|
A:HIS450
|
3.6
|
17.3
|
1.0
|
CA
|
A:SER439
|
3.8
|
23.3
|
1.0
|
N
|
A:ASP451
|
3.8
|
17.2
|
1.0
|
CA
|
A:HIS450
|
3.9
|
20.8
|
1.0
|
CG
|
A:HIS450
|
3.9
|
22.5
|
1.0
|
NH2
|
A:ARG441
|
4.0
|
22.0
|
1.0
|
N
|
A:SER439
|
4.2
|
21.4
|
1.0
|
CG
|
A:ASP451
|
4.4
|
24.2
|
1.0
|
OD2
|
A:ASP451
|
4.4
|
21.7
|
1.0
|
C
|
A:HIS450
|
4.4
|
18.8
|
1.0
|
CE1
|
A:HIS450
|
4.5
|
22.6
|
1.0
|
OD1
|
A:ASP451
|
4.6
|
23.7
|
1.0
|
O
|
A:HOH2340
|
4.6
|
20.1
|
1.0
|
O
|
A:HOH2332
|
4.7
|
19.4
|
1.0
|
O
|
A:LYS449
|
4.7
|
22.2
|
1.0
|
CB
|
A:ASP451
|
4.7
|
19.6
|
1.0
|
OG
|
A:SER439
|
4.7
|
18.7
|
1.0
|
C
|
A:TYR438
|
4.9
|
22.6
|
1.0
|
CA
|
A:ASP451
|
4.9
|
14.9
|
1.0
|
CZ
|
A:ARG441
|
4.9
|
25.1
|
1.0
|
|
Bromine binding site 3 out
of 19 in 2xhy
Go back to
Bromine Binding Sites List in 2xhy
Bromine binding site 3 out
of 19 in the Crystal Structure of E.Coli Bgla
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Crystal Structure of E.Coli Bgla within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br1483
b:94.4
occ:1.00
|
N
|
A:GLY299
|
3.2
|
36.8
|
1.0
|
CA
|
A:GLY299
|
3.5
|
31.1
|
1.0
|
N
|
A:LEU301
|
3.7
|
26.0
|
1.0
|
C
|
A:GLY299
|
3.7
|
32.1
|
1.0
|
N
|
A:ASP300
|
3.8
|
34.9
|
1.0
|
CB
|
A:LEU301
|
3.9
|
23.3
|
1.0
|
N
|
A:ASP302
|
4.0
|
28.3
|
1.0
|
CA
|
A:LEU301
|
4.2
|
25.9
|
1.0
|
O
|
A:GLY299
|
4.3
|
31.9
|
1.0
|
C
|
A:ASP298
|
4.4
|
43.6
|
1.0
|
CG
|
A:ASP302
|
4.4
|
38.7
|
1.0
|
OD2
|
A:ASP302
|
4.4
|
41.5
|
1.0
|
CG
|
A:LEU301
|
4.5
|
26.1
|
1.0
|
OD1
|
A:ASP302
|
4.5
|
39.3
|
1.0
|
C
|
A:LEU301
|
4.6
|
29.0
|
1.0
|
C
|
A:ASP300
|
4.6
|
26.7
|
1.0
|
CA
|
A:ASP298
|
4.7
|
50.9
|
1.0
|
CA
|
A:ASP300
|
4.7
|
29.4
|
1.0
|
CB
|
A:ASP302
|
4.8
|
34.2
|
1.0
|
CD1
|
A:LEU301
|
5.0
|
31.5
|
1.0
|
|
Bromine binding site 4 out
of 19 in 2xhy
Go back to
Bromine Binding Sites List in 2xhy
Bromine binding site 4 out
of 19 in the Crystal Structure of E.Coli Bgla
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Crystal Structure of E.Coli Bgla within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br1480
b:74.8
occ:1.00
|
O
|
B:HOH2061
|
3.3
|
24.6
|
1.0
|
CG2
|
B:VAL55
|
3.9
|
21.4
|
1.0
|
CG
|
B:PRO34
|
4.0
|
14.9
|
1.0
|
CB
|
B:PRO34
|
4.1
|
13.6
|
1.0
|
CZ3
|
B:TRP27
|
4.2
|
19.8
|
1.0
|
CH2
|
B:TRP27
|
4.3
|
22.2
|
1.0
|
CB
|
B:VAL55
|
4.3
|
21.6
|
1.0
|
CD
|
B:PRO34
|
4.7
|
15.4
|
1.0
|
O
|
B:HOH2060
|
4.8
|
27.6
|
1.0
|
|
Bromine binding site 5 out
of 19 in 2xhy
Go back to
Bromine Binding Sites List in 2xhy
Bromine binding site 5 out
of 19 in the Crystal Structure of E.Coli Bgla
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Crystal Structure of E.Coli Bgla within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br1481
b:73.1
occ:1.00
|
O
|
B:HOH2228
|
3.2
|
25.1
|
1.0
|
NE
|
B:ARG231
|
3.5
|
26.1
|
1.0
|
CA
|
B:ALA228
|
3.8
|
14.8
|
1.0
|
CD
|
B:ARG231
|
3.8
|
20.3
|
1.0
|
N
|
B:ALA228
|
4.0
|
16.8
|
1.0
|
CB
|
B:ARG231
|
4.3
|
19.3
|
1.0
|
C
|
B:LYS227
|
4.3
|
19.7
|
1.0
|
O
|
B:LYS227
|
4.3
|
15.0
|
1.0
|
CB
|
B:ALA228
|
4.3
|
18.8
|
1.0
|
OE2
|
B:GLU162
|
4.3
|
31.6
|
1.0
|
CB
|
B:LYS227
|
4.6
|
20.1
|
1.0
|
CG
|
B:ARG231
|
4.7
|
18.0
|
1.0
|
CZ
|
B:ARG231
|
4.7
|
27.0
|
1.0
|
|
Bromine binding site 6 out
of 19 in 2xhy
Go back to
Bromine Binding Sites List in 2xhy
Bromine binding site 6 out
of 19 in the Crystal Structure of E.Coli Bgla
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Crystal Structure of E.Coli Bgla within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br1482
b:83.7
occ:1.00
|
N
|
B:LYS53
|
3.3
|
24.4
|
1.0
|
CA
|
B:THR52
|
3.8
|
21.9
|
1.0
|
CB
|
B:THR52
|
3.8
|
21.9
|
1.0
|
CD1
|
B:LEU56
|
4.0
|
17.0
|
1.0
|
C
|
B:THR52
|
4.0
|
23.3
|
1.0
|
CG2
|
B:THR52
|
4.1
|
17.6
|
1.0
|
CG
|
B:LYS53
|
4.1
|
33.6
|
1.0
|
CB
|
B:LYS53
|
4.2
|
26.7
|
1.0
|
CA
|
B:LYS53
|
4.3
|
25.5
|
1.0
|
NZ
|
B:LYS53
|
4.7
|
56.4
|
1.0
|
N
|
B:GLU54
|
4.8
|
19.8
|
1.0
|
CG
|
B:LEU56
|
4.8
|
15.6
|
1.0
|
CD
|
B:LYS53
|
4.9
|
49.3
|
1.0
|
O
|
B:HOH2056
|
4.9
|
22.2
|
1.0
|
|
Bromine binding site 7 out
of 19 in 2xhy
Go back to
Bromine Binding Sites List in 2xhy
Bromine binding site 7 out
of 19 in the Crystal Structure of E.Coli Bgla
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Crystal Structure of E.Coli Bgla within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br1483
b:74.9
occ:1.00
|
N
|
B:LEU191
|
3.2
|
26.4
|
1.0
|
CD
|
B:PRO190
|
3.3
|
25.5
|
1.0
|
CB
|
B:LEU191
|
3.5
|
22.8
|
1.0
|
N
|
B:PRO190
|
3.8
|
23.2
|
1.0
|
CA
|
B:LEU191
|
3.8
|
20.7
|
1.0
|
CG
|
B:LEU191
|
3.9
|
24.3
|
1.0
|
O
|
B:HOH2356
|
3.9
|
24.4
|
1.0
|
CB
|
B:ALA189
|
4.0
|
17.9
|
1.0
|
CG
|
B:PRO190
|
4.1
|
29.0
|
1.0
|
O
|
B:HOH2015
|
4.1
|
18.5
|
1.0
|
C
|
B:PRO190
|
4.2
|
27.8
|
1.0
|
N
|
B:PHE192
|
4.2
|
18.3
|
1.0
|
CB
|
B:PRO190
|
4.2
|
25.6
|
1.0
|
CD1
|
B:LEU191
|
4.3
|
22.5
|
1.0
|
CA
|
B:PRO190
|
4.3
|
27.3
|
1.0
|
CE2
|
B:PHE192
|
4.4
|
17.2
|
1.0
|
CZ
|
B:PHE192
|
4.4
|
22.6
|
1.0
|
C
|
B:LEU191
|
4.5
|
20.7
|
1.0
|
CD2
|
B:PHE192
|
4.5
|
22.3
|
1.0
|
C
|
B:ALA189
|
4.5
|
24.3
|
1.0
|
CE1
|
B:PHE192
|
4.5
|
27.5
|
1.0
|
CG
|
B:PHE192
|
4.6
|
21.1
|
1.0
|
CD1
|
B:PHE192
|
4.6
|
23.1
|
1.0
|
CA
|
B:ALA189
|
4.7
|
19.5
|
1.0
|
|
Bromine binding site 8 out
of 19 in 2xhy
Go back to
Bromine Binding Sites List in 2xhy
Bromine binding site 8 out
of 19 in the Crystal Structure of E.Coli Bgla
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of Crystal Structure of E.Coli Bgla within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br1486
b:73.8
occ:1.00
|
O
|
B:HOH2281
|
3.0
|
25.2
|
1.0
|
N
|
B:GLY299
|
3.3
|
18.0
|
1.0
|
CA
|
B:GLY299
|
3.5
|
23.8
|
1.0
|
N
|
B:LEU301
|
3.5
|
21.9
|
1.0
|
N
|
B:ASP300
|
3.7
|
18.0
|
1.0
|
C
|
B:GLY299
|
3.7
|
23.5
|
1.0
|
CB
|
B:LEU301
|
3.7
|
17.4
|
1.0
|
CG
|
B:LEU301
|
4.0
|
22.6
|
1.0
|
OD2
|
B:ASP302
|
4.1
|
32.0
|
1.0
|
CA
|
B:LEU301
|
4.1
|
19.1
|
1.0
|
N
|
B:ASP302
|
4.1
|
19.9
|
1.0
|
O
|
B:GLY299
|
4.4
|
23.9
|
1.0
|
CG
|
B:ASP302
|
4.4
|
29.2
|
1.0
|
C
|
B:ASP300
|
4.4
|
21.9
|
1.0
|
C
|
B:ASP298
|
4.5
|
23.6
|
1.0
|
CD1
|
B:LEU301
|
4.5
|
22.9
|
1.0
|
CA
|
B:ASP300
|
4.6
|
22.2
|
1.0
|
C
|
B:LEU301
|
4.6
|
20.9
|
1.0
|
OD1
|
B:ASP302
|
4.8
|
30.3
|
1.0
|
CA
|
B:ASP298
|
4.9
|
28.2
|
1.0
|
O
|
B:GLU297
|
5.0
|
25.4
|
1.0
|
|
Bromine binding site 9 out
of 19 in 2xhy
Go back to
Bromine Binding Sites List in 2xhy
Bromine binding site 9 out
of 19 in the Crystal Structure of E.Coli Bgla
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 9 of Crystal Structure of E.Coli Bgla within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br1487
b:77.3
occ:1.00
|
O
|
B:HOH2220
|
3.3
|
28.4
|
1.0
|
N
|
B:GLU209
|
3.4
|
21.1
|
1.0
|
CA
|
B:ASN206
|
3.5
|
26.2
|
1.0
|
CB
|
B:ASN206
|
3.5
|
26.7
|
1.0
|
C
|
B:ASN206
|
3.5
|
28.4
|
1.0
|
N
|
B:GLU208
|
3.5
|
20.6
|
1.0
|
CE1
|
B:PHE292
|
3.7
|
21.2
|
1.0
|
N
|
B:PRO207
|
3.8
|
26.1
|
1.0
|
O
|
B:ASN206
|
3.9
|
23.7
|
1.0
|
CB
|
B:GLU208
|
3.9
|
27.5
|
1.0
|
CB
|
B:GLU209
|
4.0
|
22.9
|
1.0
|
CA
|
B:GLU208
|
4.1
|
21.7
|
1.0
|
CD
|
B:PRO207
|
4.2
|
25.3
|
1.0
|
C
|
B:GLU208
|
4.2
|
19.7
|
1.0
|
CZ
|
B:PHE292
|
4.2
|
22.3
|
1.0
|
C
|
B:PRO207
|
4.3
|
22.1
|
1.0
|
NH2
|
B:ARG290
|
4.3
|
37.7
|
1.0
|
CG
|
B:ASN206
|
4.3
|
47.2
|
1.0
|
CA
|
B:GLU209
|
4.3
|
22.7
|
1.0
|
OD1
|
B:ASN206
|
4.5
|
47.5
|
1.0
|
CD1
|
B:PHE292
|
4.6
|
22.2
|
1.0
|
CA
|
B:PRO207
|
4.6
|
23.0
|
1.0
|
OE1
|
B:GLU208
|
4.7
|
26.8
|
1.0
|
N
|
B:ASN206
|
4.9
|
29.2
|
1.0
|
CG
|
B:GLU208
|
4.9
|
24.2
|
1.0
|
|
Bromine binding site 10 out
of 19 in 2xhy
Go back to
Bromine Binding Sites List in 2xhy
Bromine binding site 10 out
of 19 in the Crystal Structure of E.Coli Bgla
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 10 of Crystal Structure of E.Coli Bgla within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br1480
b:69.8
occ:1.00
|
ND1
|
C:HIS450
|
3.5
|
17.8
|
1.0
|
CB
|
C:SER439
|
3.5
|
15.7
|
1.0
|
CB
|
C:HIS450
|
3.6
|
17.5
|
1.0
|
N
|
C:ASP451
|
3.7
|
20.1
|
1.0
|
CA
|
C:HIS450
|
3.8
|
18.7
|
1.0
|
CA
|
C:SER439
|
3.8
|
16.8
|
1.0
|
O
|
C:HOH2206
|
3.9
|
26.9
|
1.0
|
NH2
|
C:ARG441
|
4.0
|
19.0
|
1.0
|
CG
|
C:HIS450
|
4.0
|
21.9
|
1.0
|
N
|
C:SER439
|
4.2
|
14.4
|
1.0
|
OD1
|
C:ASP451
|
4.3
|
17.0
|
1.0
|
CG
|
C:ASP451
|
4.3
|
20.9
|
1.0
|
C
|
C:HIS450
|
4.3
|
18.0
|
1.0
|
OD2
|
C:ASP451
|
4.6
|
24.7
|
1.0
|
CB
|
C:ASP451
|
4.6
|
18.2
|
1.0
|
O
|
C:HOH2443
|
4.7
|
20.8
|
1.0
|
CE1
|
C:HIS450
|
4.7
|
21.6
|
1.0
|
OG
|
C:SER439
|
4.7
|
17.8
|
1.0
|
CA
|
C:ASP451
|
4.8
|
19.9
|
1.0
|
O
|
C:LYS449
|
4.9
|
16.7
|
1.0
|
O
|
C:HOH2401
|
4.9
|
22.0
|
1.0
|
C
|
C:TYR438
|
5.0
|
16.7
|
1.0
|
CZ
|
C:ARG441
|
5.0
|
22.3
|
1.0
|
|
Reference:
M.Totir,
N.Echols,
M.Nanao,
C.L.Gee,
A.Moskaleva,
S.Gradia,
A.T.Iavarone,
J.M.Berger,
A.P.May,
C.Zubieta,
T.Alber.
Macro-to-Micro Structural Proteomics: Native Source Proteins For High-Throughput Crystallization. Plos One V. 7 32498 2012.
ISSN: ISSN 1932-6203
PubMed: 22393408
DOI: 10.1371/JOURNAL.PONE.0032498
Page generated: Wed Jul 10 18:56:51 2024
|