Cobalt in PDB 6hx2: The Structure of Dps From Listeria Innocua Soaked with Cobalt
Protein crystallography data
The structure of The Structure of Dps From Listeria Innocua Soaked with Cobalt, PDB code: 6hx2
was solved by
K.Zeth,
M.Okuda,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
37.05 /
1.60
|
Space group
|
P 41 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
87.581,
87.581,
277.363,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
15.5 /
17.1
|
Cobalt Binding Sites:
Cobalt binding site 1 out
of 45 in 6hx2
Go back to
Cobalt Binding Sites List in 6hx2
Cobalt binding site 1 out
of 45 in the The Structure of Dps From Listeria Innocua Soaked with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of The Structure of Dps From Listeria Innocua Soaked with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co201
b:19.7
occ:0.82
|
OE2
|
A:GLU63
|
2.0
|
33.3
|
1.0
|
O
|
A:HOH381
|
2.0
|
31.2
|
0.9
|
NE2
|
D:HIS32
|
2.1
|
21.7
|
1.0
|
O
|
D:HOH322
|
2.1
|
34.7
|
1.0
|
OD2
|
A:ASP59
|
2.2
|
26.1
|
1.0
|
OD1
|
A:ASP59
|
2.3
|
26.3
|
1.0
|
CG
|
A:ASP59
|
2.5
|
25.6
|
1.0
|
CD
|
A:GLU63
|
3.0
|
26.1
|
1.0
|
CD2
|
D:HIS32
|
3.0
|
20.3
|
1.0
|
CE1
|
D:HIS32
|
3.1
|
22.9
|
1.0
|
HD2
|
D:HIS32
|
3.1
|
24.4
|
1.0
|
HE1
|
D:HIS32
|
3.3
|
27.4
|
1.0
|
OE1
|
A:GLU63
|
3.4
|
26.2
|
1.0
|
HE1
|
D:TRP33
|
3.6
|
26.1
|
1.0
|
O
|
D:HOH356
|
3.8
|
36.5
|
1.0
|
CB
|
A:ASP59
|
4.0
|
23.6
|
1.0
|
OD1
|
D:ASP48
|
4.0
|
28.1
|
1.0
|
HE1
|
D:HIS44
|
4.1
|
29.7
|
1.0
|
HG3
|
A:GLU63
|
4.1
|
28.0
|
1.0
|
CG
|
A:GLU63
|
4.2
|
23.4
|
1.0
|
O
|
A:HOH436
|
4.2
|
73.8
|
1.0
|
CG
|
D:HIS32
|
4.2
|
20.9
|
1.0
|
ND1
|
D:HIS32
|
4.2
|
22.0
|
1.0
|
NE2
|
D:HIS44
|
4.3
|
24.5
|
1.0
|
O
|
A:HOH315
|
4.3
|
42.9
|
1.0
|
HD1
|
D:TRP33
|
4.3
|
25.0
|
1.0
|
OD2
|
D:ASP48
|
4.3
|
31.4
|
1.0
|
NE1
|
D:TRP33
|
4.3
|
21.8
|
1.0
|
HB2
|
A:ASP59
|
4.4
|
28.4
|
1.0
|
HB3
|
A:ASP59
|
4.4
|
28.4
|
1.0
|
CE1
|
D:HIS44
|
4.4
|
24.7
|
1.0
|
O
|
A:HOH471
|
4.5
|
91.4
|
1.0
|
HG2
|
A:GLU63
|
4.5
|
28.0
|
1.0
|
CG
|
D:ASP48
|
4.6
|
27.7
|
1.0
|
O
|
D:HOH376
|
4.6
|
42.4
|
1.0
|
CD1
|
D:TRP33
|
4.7
|
20.8
|
1.0
|
HH2
|
B:TRP145
|
4.8
|
28.3
|
1.0
|
HA
|
A:ASP59
|
4.9
|
25.3
|
1.0
|
O
|
A:ASP59
|
5.0
|
20.3
|
1.0
|
HD1
|
D:HIS32
|
5.0
|
26.4
|
1.0
|
CA
|
A:ASP59
|
5.0
|
21.1
|
1.0
|
|
Cobalt binding site 2 out
of 45 in 6hx2
Go back to
Cobalt Binding Sites List in 6hx2
Cobalt binding site 2 out
of 45 in the The Structure of Dps From Listeria Innocua Soaked with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of The Structure of Dps From Listeria Innocua Soaked with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co202
b:30.1
occ:0.72
|
O
|
A:HOH428
|
2.0
|
33.7
|
0.9
|
O
|
A:HOH439
|
2.1
|
29.3
|
1.0
|
CO
|
A:CO208
|
2.1
|
44.7
|
0.5
|
O
|
A:HOH337
|
2.1
|
32.6
|
1.0
|
O
|
A:HOH446
|
2.2
|
34.9
|
0.9
|
ND1
|
A:HIS16
|
2.2
|
37.3
|
1.0
|
CE1
|
A:HIS16
|
3.1
|
36.4
|
1.0
|
O
|
A:HOH466
|
3.1
|
67.9
|
1.0
|
HB2
|
A:HIS16
|
3.1
|
35.7
|
1.0
|
HE1
|
A:HIS16
|
3.2
|
43.6
|
1.0
|
CG
|
A:HIS16
|
3.3
|
33.9
|
1.0
|
CB
|
A:HIS16
|
3.7
|
29.8
|
1.0
|
O
|
A:HOH464
|
3.9
|
51.0
|
1.0
|
O
|
A:ASN82
|
4.0
|
32.2
|
1.0
|
O
|
A:HOH361
|
4.2
|
29.0
|
1.0
|
HB3
|
A:ASN82
|
4.2
|
35.0
|
1.0
|
HA
|
A:HIS16
|
4.2
|
30.0
|
1.0
|
NE2
|
A:HIS16
|
4.3
|
33.1
|
1.0
|
CD2
|
A:HIS16
|
4.4
|
32.9
|
1.0
|
HG2
|
A:GLU12
|
4.4
|
60.8
|
1.0
|
HB3
|
A:HIS16
|
4.5
|
35.7
|
1.0
|
OE2
|
A:GLU12
|
4.5
|
63.9
|
1.0
|
OD1
|
A:ASN82
|
4.5
|
32.1
|
1.0
|
CA
|
A:HIS16
|
4.6
|
25.0
|
1.0
|
HA
|
A:ASN82
|
4.6
|
36.2
|
1.0
|
O
|
A:HOH440
|
4.8
|
57.3
|
1.0
|
CB
|
A:ASN82
|
5.0
|
29.1
|
1.0
|
C
|
A:ASN82
|
5.0
|
30.1
|
1.0
|
|
Cobalt binding site 3 out
of 45 in 6hx2
Go back to
Cobalt Binding Sites List in 6hx2
Cobalt binding site 3 out
of 45 in the The Structure of Dps From Listeria Innocua Soaked with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of The Structure of Dps From Listeria Innocua Soaked with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co203
b:20.1
occ:0.35
|
O
|
A:HOH355
|
2.2
|
35.9
|
0.9
|
O
|
A:HOH456
|
2.3
|
47.4
|
1.0
|
HG1
|
A:THR42
|
3.5
|
34.8
|
1.0
|
O
|
A:HOH491
|
3.8
|
46.3
|
1.0
|
O
|
A:HOH327
|
4.1
|
41.1
|
1.0
|
HG23
|
A:THR42
|
4.1
|
31.6
|
1.0
|
OG1
|
A:THR42
|
4.3
|
29.0
|
1.0
|
HA
|
A:THR42
|
4.5
|
26.8
|
1.0
|
O
|
A:HOH398
|
4.7
|
27.4
|
1.0
|
OE1
|
A:GLU45
|
4.9
|
59.5
|
1.0
|
CG2
|
A:THR42
|
4.9
|
26.4
|
1.0
|
|
Cobalt binding site 4 out
of 45 in 6hx2
Go back to
Cobalt Binding Sites List in 6hx2
Cobalt binding site 4 out
of 45 in the The Structure of Dps From Listeria Innocua Soaked with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of The Structure of Dps From Listeria Innocua Soaked with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co204
b:43.8
occ:0.62
|
NE2
|
A:HIS38
|
2.2
|
58.1
|
1.0
|
CO
|
A:CO210
|
2.3
|
73.1
|
0.4
|
O
|
A:HOH469
|
2.4
|
31.4
|
0.5
|
CD2
|
A:HIS38
|
3.1
|
50.4
|
1.0
|
CE1
|
A:HIS38
|
3.2
|
61.6
|
1.0
|
HD2
|
A:HIS38
|
3.3
|
60.5
|
1.0
|
HE1
|
A:HIS38
|
3.4
|
74.0
|
1.0
|
ND1
|
A:HIS38
|
4.2
|
56.0
|
1.0
|
CG
|
A:HIS38
|
4.2
|
46.4
|
1.0
|
HD1
|
A:HIS38
|
5.0
|
67.2
|
1.0
|
|
Cobalt binding site 5 out
of 45 in 6hx2
Go back to
Cobalt Binding Sites List in 6hx2
Cobalt binding site 5 out
of 45 in the The Structure of Dps From Listeria Innocua Soaked with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 5 of The Structure of Dps From Listeria Innocua Soaked with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co205
b:29.9
occ:0.29
|
OD2
|
A:ASP97
|
2.3
|
39.8
|
1.0
|
CG
|
A:ASP97
|
3.3
|
36.2
|
1.0
|
OD1
|
A:ASP97
|
3.6
|
37.5
|
1.0
|
O
|
A:HOH408
|
4.0
|
32.9
|
1.0
|
CB
|
A:ASP97
|
4.6
|
31.2
|
1.0
|
HB2
|
A:ASP97
|
4.6
|
37.5
|
1.0
|
|
Cobalt binding site 6 out
of 45 in 6hx2
Go back to
Cobalt Binding Sites List in 6hx2
Cobalt binding site 6 out
of 45 in the The Structure of Dps From Listeria Innocua Soaked with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 6 of The Structure of Dps From Listeria Innocua Soaked with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co206
b:81.0
occ:0.66
|
O
|
A:HOH436
|
2.1
|
73.8
|
1.0
|
O
|
A:HOH471
|
2.3
|
91.4
|
1.0
|
OE1
|
A:GLU56
|
2.3
|
43.1
|
0.5
|
O
|
A:HOH303
|
2.3
|
49.7
|
1.0
|
OE1
|
A:GLU56
|
2.4
|
43.0
|
0.5
|
O
|
A:HOH462
|
2.4
|
59.3
|
1.0
|
OE2
|
A:GLU56
|
2.4
|
44.0
|
0.5
|
CD
|
A:GLU56
|
2.7
|
40.4
|
0.5
|
O
|
A:HOH315
|
3.0
|
42.9
|
1.0
|
CD
|
A:GLU56
|
3.5
|
41.3
|
0.5
|
OD2
|
A:ASP59
|
4.0
|
26.1
|
1.0
|
OE2
|
A:GLU56
|
4.0
|
45.7
|
0.5
|
CG
|
A:GLU56
|
4.2
|
31.0
|
0.5
|
OE2
|
A:GLU60
|
4.2
|
40.2
|
0.5
|
HB3
|
A:ASP59
|
4.3
|
28.4
|
1.0
|
O
|
D:HOH322
|
4.4
|
34.7
|
1.0
|
HB3
|
A:GLU56
|
4.4
|
31.9
|
0.5
|
HA
|
A:GLU56
|
4.5
|
28.2
|
0.5
|
HG2
|
A:GLU56
|
4.5
|
37.2
|
0.5
|
HG2
|
A:GLU60
|
4.5
|
38.0
|
0.5
|
HA
|
A:GLU56
|
4.5
|
28.2
|
0.5
|
HG3
|
A:GLU60
|
4.6
|
38.0
|
0.5
|
CG
|
A:GLU56
|
4.7
|
31.5
|
0.5
|
HG3
|
A:GLU56
|
4.7
|
37.2
|
0.5
|
HG3
|
A:GLU56
|
4.8
|
37.8
|
0.5
|
CG
|
A:ASP59
|
4.9
|
25.6
|
1.0
|
O
|
A:HOH381
|
4.9
|
31.2
|
0.9
|
HG2
|
A:GLU60
|
4.9
|
38.0
|
0.5
|
CB
|
A:GLU56
|
5.0
|
26.6
|
0.5
|
HB2
|
A:GLU56
|
5.0
|
31.8
|
0.5
|
|
Cobalt binding site 7 out
of 45 in 6hx2
Go back to
Cobalt Binding Sites List in 6hx2
Cobalt binding site 7 out
of 45 in the The Structure of Dps From Listeria Innocua Soaked with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 7 of The Structure of Dps From Listeria Innocua Soaked with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co207
b:89.0
occ:0.90
|
O
|
A:HOH435
|
2.4
|
42.8
|
1.0
|
O
|
A:HOH449
|
3.0
|
46.9
|
1.0
|
HD1
|
A:HIS38
|
3.1
|
67.2
|
1.0
|
HB2
|
A:HIS38
|
3.8
|
43.1
|
1.0
|
ND1
|
A:HIS38
|
3.9
|
56.0
|
1.0
|
HB3
|
A:HIS38
|
4.3
|
43.1
|
1.0
|
CB
|
A:HIS38
|
4.4
|
36.0
|
1.0
|
CG
|
A:HIS38
|
4.6
|
46.4
|
1.0
|
HD21
|
A:ASN39
|
4.7
|
46.5
|
1.0
|
CE1
|
A:HIS38
|
4.9
|
61.6
|
1.0
|
|
Cobalt binding site 8 out
of 45 in 6hx2
Go back to
Cobalt Binding Sites List in 6hx2
Cobalt binding site 8 out
of 45 in the The Structure of Dps From Listeria Innocua Soaked with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 8 of The Structure of Dps From Listeria Innocua Soaked with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co208
b:44.7
occ:0.48
|
CO
|
A:CO202
|
2.1
|
30.1
|
0.7
|
O
|
A:HOH466
|
2.2
|
67.9
|
1.0
|
O
|
A:HOH428
|
2.8
|
33.7
|
0.9
|
O
|
A:HOH337
|
2.9
|
32.6
|
1.0
|
O
|
A:HOH439
|
2.9
|
29.3
|
1.0
|
O
|
A:HOH446
|
3.0
|
34.9
|
0.9
|
OE2
|
A:GLU12
|
3.6
|
63.9
|
1.0
|
O
|
A:HOH440
|
3.9
|
57.3
|
1.0
|
OD1
|
A:ASN82
|
4.1
|
32.1
|
1.0
|
O
|
A:HOH361
|
4.4
|
29.0
|
1.0
|
ND1
|
A:HIS16
|
4.4
|
37.3
|
1.0
|
HG2
|
A:GLU12
|
4.4
|
60.8
|
1.0
|
HG3
|
A:GLU12
|
4.5
|
60.8
|
1.0
|
CD
|
A:GLU12
|
4.5
|
62.8
|
1.0
|
CG
|
A:GLU12
|
4.7
|
50.7
|
1.0
|
HB2
|
A:HIS16
|
4.8
|
35.7
|
1.0
|
HE1
|
A:HIS16
|
4.9
|
43.6
|
1.0
|
HA
|
A:ASN82
|
5.0
|
36.2
|
1.0
|
|
Cobalt binding site 9 out
of 45 in 6hx2
Go back to
Cobalt Binding Sites List in 6hx2
Cobalt binding site 9 out
of 45 in the The Structure of Dps From Listeria Innocua Soaked with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 9 of The Structure of Dps From Listeria Innocua Soaked with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co209
b:99.1
occ:0.82
|
O
|
A:HOH429
|
1.7
|
0.7
|
1.0
|
CO
|
B:CO208
|
2.2
|
69.4
|
0.6
|
CO
|
F:CO203
|
2.5
|
63.9
|
0.2
|
OD1
|
A:ASP131
|
2.7
|
51.7
|
1.0
|
OD2
|
A:ASP131
|
2.8
|
52.7
|
1.0
|
O
|
A:HOH389
|
2.8
|
43.5
|
1.0
|
CG
|
A:ASP131
|
3.1
|
45.9
|
1.0
|
O
|
B:HOH367
|
3.2
|
52.0
|
1.0
|
O
|
F:HOH332
|
3.7
|
57.1
|
1.0
|
O
|
B:HOH377
|
3.7
|
44.8
|
1.0
|
OD1
|
F:ASP131
|
3.8
|
40.7
|
1.0
|
HB2
|
A:ALA135
|
3.9
|
29.7
|
1.0
|
O
|
A:HOH460
|
4.3
|
50.1
|
1.0
|
OD1
|
B:ASP131
|
4.3
|
53.1
|
1.0
|
OD2
|
F:ASP131
|
4.4
|
44.9
|
1.0
|
O
|
A:ASP131
|
4.4
|
24.6
|
1.0
|
O
|
A:HOH307
|
4.4
|
56.3
|
1.0
|
O
|
A:HOH309
|
4.4
|
84.2
|
1.0
|
CG
|
F:ASP131
|
4.5
|
38.4
|
1.0
|
CB
|
A:ASP131
|
4.6
|
31.3
|
1.0
|
O
|
F:HOH311
|
4.7
|
53.0
|
1.0
|
CB
|
A:ALA135
|
4.9
|
24.8
|
1.0
|
C
|
A:ASP131
|
4.9
|
24.2
|
1.0
|
|
Cobalt binding site 10 out
of 45 in 6hx2
Go back to
Cobalt Binding Sites List in 6hx2
Cobalt binding site 10 out
of 45 in the The Structure of Dps From Listeria Innocua Soaked with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 10 of The Structure of Dps From Listeria Innocua Soaked with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co210
b:73.1
occ:0.39
|
CO
|
A:CO204
|
2.3
|
43.8
|
0.6
|
NE2
|
A:HIS38
|
2.7
|
58.1
|
1.0
|
HE1
|
A:HIS38
|
2.7
|
74.0
|
1.0
|
CE1
|
A:HIS38
|
3.0
|
61.6
|
1.0
|
O
|
A:HOH469
|
3.7
|
31.4
|
0.5
|
CD2
|
A:HIS38
|
4.0
|
50.4
|
1.0
|
ND1
|
A:HIS38
|
4.3
|
56.0
|
1.0
|
HD2
|
A:HIS38
|
4.4
|
60.5
|
1.0
|
CG
|
A:HIS38
|
4.8
|
46.4
|
1.0
|
HD1
|
A:HIS38
|
4.9
|
67.2
|
1.0
|
|
Reference:
K.Zeth,
E.Sancho-Vaello,
M.Okuda.
Metal Positions and Translocation Pathways of the Dodecameric Ferritin-Like Protein Dps. Inorg.Chem. V. 58 11351 2019.
ISSN: ISSN 0020-1669
PubMed: 31433627
DOI: 10.1021/ACS.INORGCHEM.9B00301
Page generated: Tue Jul 30 18:38:17 2024
|