Zinc in PDB 3g6p: Gr Dna Binding Domain:FKBP5 Complex, 18BP
Protein crystallography data
The structure of Gr Dna Binding Domain:FKBP5 Complex, 18BP, PDB code: 3g6p
was solved by
M.A.Pufall,
K.R.Yamamoto,
S.H.Meijsing,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
28.69 /
1.99
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
39.060,
100.110,
112.410,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
21.4 /
23.9
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Gr Dna Binding Domain:FKBP5 Complex, 18BP
(pdb code 3g6p). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the
Gr Dna Binding Domain:FKBP5 Complex, 18BP, PDB code: 3g6p:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 3g6p
Go back to
Zinc Binding Sites List in 3g6p
Zinc binding site 1 out
of 4 in the Gr Dna Binding Domain:FKBP5 Complex, 18BP
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Gr Dna Binding Domain:FKBP5 Complex, 18BP within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1514
b:51.5
occ:1.00
|
SG
|
A:CYS460
|
2.3
|
42.9
|
0.9
|
SG
|
A:CYS440
|
2.4
|
51.9
|
1.0
|
SG
|
A:CYS457
|
2.4
|
51.1
|
1.0
|
SG
|
A:CYS443
|
2.4
|
51.7
|
0.9
|
CB
|
A:CYS460
|
3.1
|
48.3
|
1.0
|
CB
|
A:CYS443
|
3.2
|
59.4
|
1.0
|
CB
|
A:CYS440
|
3.3
|
67.4
|
1.0
|
CB
|
A:CYS457
|
3.5
|
57.0
|
1.0
|
N
|
A:CYS443
|
3.5
|
53.1
|
1.0
|
CA
|
A:CYS443
|
3.9
|
59.1
|
1.0
|
N
|
A:CYS457
|
4.0
|
58.1
|
1.0
|
N
|
A:CYS460
|
4.2
|
37.4
|
1.0
|
CA
|
A:CYS460
|
4.2
|
47.1
|
1.0
|
CA
|
A:CYS457
|
4.3
|
53.0
|
1.0
|
CB
|
A:VAL442
|
4.4
|
58.9
|
1.0
|
OG
|
A:SER459
|
4.4
|
44.4
|
1.0
|
C
|
A:CYS443
|
4.5
|
70.6
|
1.0
|
CB
|
A:ASP445
|
4.6
|
71.8
|
1.0
|
NH1
|
A:ARG489
|
4.6
|
61.7
|
1.0
|
C
|
A:VAL442
|
4.6
|
49.2
|
1.0
|
N
|
A:SER444
|
4.7
|
69.2
|
1.0
|
CG1
|
A:VAL442
|
4.7
|
52.9
|
1.0
|
CA
|
A:CYS440
|
4.8
|
66.2
|
1.0
|
NH2
|
A:ARG496
|
4.8
|
40.2
|
1.0
|
N
|
A:ASP445
|
4.8
|
49.8
|
1.0
|
CA
|
A:VAL442
|
4.9
|
55.9
|
1.0
|
C
|
A:CYS457
|
4.9
|
47.8
|
1.0
|
N
|
A:VAL442
|
4.9
|
47.8
|
1.0
|
O
|
A:CYS457
|
4.9
|
51.0
|
1.0
|
|
Zinc binding site 2 out
of 4 in 3g6p
Go back to
Zinc Binding Sites List in 3g6p
Zinc binding site 2 out
of 4 in the Gr Dna Binding Domain:FKBP5 Complex, 18BP
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Gr Dna Binding Domain:FKBP5 Complex, 18BP within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1515
b:33.8
occ:1.00
|
SG
|
A:CYS482
|
2.2
|
32.0
|
1.0
|
SG
|
A:CYS492
|
2.3
|
30.1
|
1.0
|
SG
|
A:CYS476
|
2.3
|
32.8
|
1.0
|
SG
|
A:CYS495
|
2.4
|
32.5
|
1.0
|
CB
|
A:CYS482
|
3.2
|
33.0
|
1.0
|
CB
|
A:CYS492
|
3.3
|
28.3
|
1.0
|
CB
|
A:CYS495
|
3.3
|
30.6
|
1.0
|
CB
|
A:CYS476
|
3.3
|
30.4
|
1.0
|
O
|
A:HOH2
|
3.7
|
31.4
|
1.0
|
N
|
A:CYS482
|
3.9
|
37.9
|
1.0
|
CA
|
A:CYS476
|
4.0
|
28.1
|
1.0
|
CA
|
A:CYS482
|
4.2
|
39.4
|
1.0
|
O
|
A:HOH526
|
4.2
|
35.6
|
1.0
|
N
|
A:CYS495
|
4.3
|
30.7
|
1.0
|
CA
|
A:CYS495
|
4.4
|
37.3
|
1.0
|
CA
|
A:ASN480
|
4.5
|
38.9
|
1.0
|
N
|
A:ASN480
|
4.6
|
38.6
|
1.0
|
N
|
A:ASP481
|
4.6
|
38.6
|
1.0
|
N
|
A:ALA477
|
4.7
|
27.8
|
1.0
|
CA
|
A:CYS492
|
4.7
|
27.7
|
1.0
|
O
|
B:HOH4
|
4.7
|
35.6
|
1.0
|
C
|
A:ASN480
|
4.8
|
47.1
|
1.0
|
C
|
A:CYS476
|
4.8
|
33.0
|
1.0
|
N
|
A:GLY478
|
4.9
|
34.4
|
1.0
|
|
Zinc binding site 3 out
of 4 in 3g6p
Go back to
Zinc Binding Sites List in 3g6p
Zinc binding site 3 out
of 4 in the Gr Dna Binding Domain:FKBP5 Complex, 18BP
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Gr Dna Binding Domain:FKBP5 Complex, 18BP within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1512
b:49.6
occ:1.00
|
SG
|
B:CYS440
|
2.2
|
46.0
|
1.0
|
SG
|
B:CYS460
|
2.3
|
42.7
|
1.0
|
SG
|
B:CYS457
|
2.3
|
53.0
|
1.0
|
SG
|
B:CYS443
|
2.4
|
46.2
|
0.9
|
CB
|
B:CYS440
|
3.0
|
67.7
|
1.0
|
CB
|
B:CYS443
|
3.2
|
54.7
|
1.0
|
CB
|
B:CYS460
|
3.2
|
43.7
|
1.0
|
CB
|
B:CYS457
|
3.5
|
57.5
|
1.0
|
N
|
B:CYS443
|
3.6
|
43.5
|
1.0
|
CA
|
B:CYS443
|
3.9
|
57.1
|
1.0
|
N
|
B:CYS457
|
3.9
|
47.9
|
1.0
|
N
|
B:CYS460
|
4.2
|
36.0
|
1.0
|
CA
|
B:CYS457
|
4.3
|
49.9
|
1.0
|
CA
|
B:CYS460
|
4.3
|
41.0
|
1.0
|
OG
|
B:SER459
|
4.4
|
48.9
|
1.0
|
CB
|
B:VAL442
|
4.4
|
37.5
|
1.0
|
C
|
B:CYS443
|
4.4
|
68.1
|
1.0
|
CB
|
B:ASP445
|
4.5
|
67.4
|
1.0
|
CA
|
B:CYS440
|
4.5
|
67.1
|
1.0
|
N
|
B:SER444
|
4.6
|
79.8
|
1.0
|
C
|
B:VAL442
|
4.6
|
60.5
|
1.0
|
N
|
B:ASP445
|
4.7
|
61.0
|
1.0
|
NH1
|
B:ARG489
|
4.7
|
47.2
|
1.0
|
NH2
|
B:ARG496
|
4.8
|
48.6
|
1.0
|
C
|
B:CYS457
|
4.9
|
48.7
|
1.0
|
O
|
B:CYS457
|
4.9
|
44.8
|
1.0
|
CA
|
B:VAL442
|
4.9
|
52.3
|
1.0
|
N
|
B:VAL442
|
4.9
|
55.7
|
1.0
|
CG1
|
B:VAL442
|
5.0
|
46.4
|
1.0
|
C
|
B:CYS440
|
5.0
|
64.2
|
1.0
|
|
Zinc binding site 4 out
of 4 in 3g6p
Go back to
Zinc Binding Sites List in 3g6p
Zinc binding site 4 out
of 4 in the Gr Dna Binding Domain:FKBP5 Complex, 18BP
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Gr Dna Binding Domain:FKBP5 Complex, 18BP within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1513
b:31.4
occ:1.00
|
SG
|
B:CYS482
|
2.3
|
32.0
|
1.0
|
SG
|
B:CYS476
|
2.3
|
33.2
|
1.0
|
SG
|
B:CYS495
|
2.3
|
32.0
|
1.0
|
SG
|
B:CYS492
|
2.4
|
31.9
|
1.0
|
CB
|
B:CYS482
|
3.2
|
38.7
|
1.0
|
CB
|
B:CYS492
|
3.3
|
33.2
|
1.0
|
CB
|
B:CYS476
|
3.3
|
27.2
|
1.0
|
CB
|
B:CYS495
|
3.3
|
26.6
|
1.0
|
O
|
B:HOH1
|
3.8
|
31.4
|
1.0
|
N
|
B:CYS482
|
3.9
|
33.1
|
1.0
|
CA
|
B:CYS476
|
4.0
|
36.6
|
1.0
|
CA
|
B:CYS482
|
4.2
|
44.4
|
1.0
|
N
|
B:CYS495
|
4.2
|
25.2
|
1.0
|
CA
|
B:CYS495
|
4.3
|
29.8
|
1.0
|
CA
|
B:ASN480
|
4.4
|
48.5
|
1.0
|
N
|
B:ASN480
|
4.5
|
44.7
|
1.0
|
O
|
B:HOH4
|
4.6
|
35.6
|
1.0
|
O
|
B:HOH49
|
4.6
|
57.2
|
1.0
|
N
|
B:ASP481
|
4.6
|
39.5
|
1.0
|
O
|
B:HOH5
|
4.6
|
32.6
|
1.0
|
CA
|
B:CYS492
|
4.7
|
30.6
|
1.0
|
N
|
B:ALA477
|
4.7
|
31.0
|
1.0
|
C
|
B:ASN480
|
4.8
|
42.0
|
1.0
|
N
|
B:GLY478
|
4.8
|
37.4
|
1.0
|
C
|
B:CYS476
|
4.8
|
39.5
|
1.0
|
CB
|
B:ALA494
|
5.0
|
27.2
|
1.0
|
|
Reference:
S.H.Meijsing,
M.A.Pufall,
A.Y.So,
D.L.Bates,
L.Chen,
K.R.Yamamoto.
Dna Binding Site Sequence Directs Glucocorticoid Receptor Structure and Activity. Science V. 324 407 2009.
ISSN: ISSN 0036-8075
PubMed: 19372434
DOI: 10.1126/SCIENCE.1164265
Page generated: Thu Oct 24 13:32:12 2024
|