Zinc in PDB 6tyj: Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii
Protein crystallography data
The structure of Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii, PDB code: 6tyj
was solved by
Seattle Structural Genomics Center For Infectious Disease (Ssgcid),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.23 /
1.60
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
52.230,
52.230,
104.650,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
17.8 /
20.8
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii
(pdb code 6tyj). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the
Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii, PDB code: 6tyj:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 6tyj
Go back to
Zinc Binding Sites List in 6tyj
Zinc binding site 1 out
of 4 in the Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn300
b:21.0
occ:0.90
|
OE2
|
A:GLU49
|
1.9
|
17.3
|
1.0
|
NE2
|
A:HIS11
|
2.1
|
23.1
|
1.0
|
NE2
|
A:HIS45
|
2.1
|
22.1
|
1.0
|
NE2
|
A:HIS105
|
2.1
|
35.3
|
1.0
|
OE2
|
A:GLU109
|
2.2
|
38.1
|
1.0
|
CD
|
A:GLU49
|
2.9
|
26.6
|
1.0
|
CE1
|
A:HIS105
|
2.9
|
57.1
|
1.0
|
CE1
|
A:HIS45
|
3.1
|
20.0
|
1.0
|
CE1
|
A:HIS11
|
3.1
|
23.9
|
1.0
|
CD2
|
A:HIS11
|
3.1
|
22.2
|
1.0
|
CD2
|
A:HIS45
|
3.1
|
20.5
|
1.0
|
CD2
|
A:HIS105
|
3.2
|
34.4
|
1.0
|
CD
|
A:GLU109
|
3.2
|
38.4
|
1.0
|
OE1
|
A:GLU49
|
3.3
|
28.4
|
1.0
|
ZN
|
A:ZN301
|
3.6
|
62.6
|
0.5
|
OE1
|
A:GLU109
|
3.6
|
37.2
|
1.0
|
ND1
|
A:HIS105
|
4.1
|
33.9
|
1.0
|
CG
|
A:GLU49
|
4.2
|
18.9
|
1.0
|
ND1
|
A:HIS45
|
4.2
|
20.6
|
1.0
|
ND1
|
A:HIS11
|
4.2
|
25.3
|
1.0
|
CG
|
A:HIS11
|
4.2
|
22.6
|
1.0
|
CG
|
A:HIS45
|
4.2
|
16.2
|
1.0
|
CG
|
A:HIS105
|
4.3
|
33.7
|
1.0
|
CG
|
A:GLU109
|
4.6
|
34.8
|
1.0
|
CB
|
A:GLU109
|
4.8
|
31.1
|
1.0
|
CD2
|
A:LEU7
|
4.9
|
23.3
|
1.0
|
|
Zinc binding site 2 out
of 4 in 6tyj
Go back to
Zinc Binding Sites List in 6tyj
Zinc binding site 2 out
of 4 in the Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn301
b:62.6
occ:0.47
|
CE1
|
A:HIS105
|
1.7
|
57.1
|
1.0
|
OE1
|
A:GLU49
|
2.0
|
28.4
|
1.0
|
NE2
|
A:HIS71
|
2.2
|
23.1
|
1.0
|
O
|
A:HOH430
|
2.6
|
27.6
|
1.0
|
ND1
|
A:HIS105
|
2.6
|
33.9
|
1.0
|
NE2
|
A:HIS105
|
2.7
|
35.3
|
1.0
|
CD2
|
A:HIS71
|
2.8
|
23.2
|
1.0
|
CD
|
A:GLU49
|
2.9
|
26.6
|
1.0
|
OH
|
A:TYR54
|
3.2
|
27.4
|
1.0
|
OE2
|
A:GLU49
|
3.3
|
17.3
|
1.0
|
CE1
|
A:HIS71
|
3.4
|
23.5
|
1.0
|
ZN
|
A:ZN300
|
3.6
|
21.0
|
0.9
|
CG
|
A:HIS105
|
3.8
|
33.7
|
1.0
|
CE1
|
A:PHE46
|
3.8
|
33.2
|
1.0
|
CD2
|
A:HIS105
|
3.8
|
34.4
|
1.0
|
OE2
|
A:GLU109
|
3.8
|
38.1
|
1.0
|
CD1
|
A:PHE46
|
4.0
|
33.5
|
1.0
|
CZ
|
A:TYR54
|
4.1
|
26.7
|
1.0
|
CG
|
A:HIS71
|
4.1
|
20.1
|
1.0
|
CG
|
A:GLU49
|
4.2
|
18.9
|
1.0
|
CE2
|
A:TYR54
|
4.2
|
25.9
|
1.0
|
CD
|
A:GLU109
|
4.3
|
38.4
|
1.0
|
ND1
|
A:HIS71
|
4.4
|
23.4
|
1.0
|
CB
|
A:GLU49
|
4.4
|
16.3
|
1.0
|
O
|
A:HOH432
|
4.4
|
32.2
|
1.0
|
OE1
|
A:GLU109
|
4.5
|
37.2
|
1.0
|
CD2
|
A:HIS45
|
4.6
|
20.5
|
1.0
|
CZ
|
A:PHE46
|
4.6
|
24.4
|
1.0
|
NE2
|
A:HIS45
|
4.7
|
22.1
|
1.0
|
|
Zinc binding site 3 out
of 4 in 6tyj
Go back to
Zinc Binding Sites List in 6tyj
Zinc binding site 3 out
of 4 in the Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn302
b:16.4
occ:0.58
|
O
|
A:HOH515
|
1.9
|
21.8
|
0.7
|
OD2
|
A:ASP50
|
2.0
|
25.1
|
1.0
|
O
|
A:HOH495
|
2.0
|
30.2
|
1.0
|
ND1
|
A:HIS71
|
2.2
|
23.4
|
1.0
|
CG
|
A:ASP50
|
2.6
|
25.1
|
1.0
|
OD1
|
A:ASP50
|
2.7
|
23.8
|
1.0
|
CG
|
A:HIS71
|
3.1
|
20.1
|
1.0
|
CE1
|
A:HIS71
|
3.2
|
23.5
|
1.0
|
CB
|
A:HIS71
|
3.4
|
17.4
|
1.0
|
O
|
A:HOH515
|
3.4
|
27.9
|
0.3
|
O
|
A:HOH427
|
3.9
|
55.5
|
1.0
|
CD2
|
A:HIS68
|
4.0
|
28.4
|
1.0
|
CB
|
A:ASP50
|
4.1
|
20.0
|
1.0
|
O
|
A:HOH447
|
4.1
|
30.6
|
1.0
|
NE2
|
A:HIS71
|
4.3
|
23.1
|
1.0
|
CD2
|
A:HIS71
|
4.3
|
23.2
|
1.0
|
O
|
A:PHE46
|
4.5
|
20.2
|
1.0
|
CB
|
A:PHE46
|
4.6
|
19.9
|
1.0
|
CD2
|
A:PHE46
|
4.8
|
24.6
|
1.0
|
CA
|
A:HIS71
|
4.9
|
17.6
|
1.0
|
NE2
|
A:HIS68
|
4.9
|
25.6
|
1.0
|
CG
|
A:PHE46
|
4.9
|
24.7
|
1.0
|
O
|
A:HIS68
|
5.0
|
21.1
|
1.0
|
|
Zinc binding site 4 out
of 4 in 6tyj
Go back to
Zinc Binding Sites List in 6tyj
Zinc binding site 4 out
of 4 in the Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain- Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn303
b:0.9
occ:0.63
|
O
|
A:HOH518
|
2.0
|
80.5
|
0.2
|
O
|
A:HOH442
|
2.5
|
63.8
|
1.0
|
OE2
|
A:GLU37
|
2.5
|
29.5
|
1.0
|
O
|
A:HOH508
|
2.7
|
61.6
|
1.0
|
OE1
|
A:GLU37
|
3.0
|
27.0
|
1.0
|
CD
|
A:GLU37
|
3.1
|
28.4
|
1.0
|
CD2
|
A:LEU34
|
3.5
|
21.1
|
1.0
|
O
|
A:HOH518
|
3.5
|
53.8
|
0.8
|
O
|
A:HOH499
|
4.1
|
53.8
|
1.0
|
CG
|
A:LEU34
|
4.4
|
18.3
|
1.0
|
CG
|
A:GLU37
|
4.6
|
19.7
|
1.0
|
NZ
|
A:LYS20
|
5.0
|
62.6
|
1.0
|
|
Reference:
J.Abendroth,
S.L.Delker,
G.W.Buchko,
D.D.Lorimer,
P.S.Horanyi,
T.E.Edwards.
Crystal Structure of Zinc-Bound Hemerythrin Hhe Cation Binding Domain-Containing Protein (Soak): RV2633C Homolog From Mycobacterium Kansasii To Be Published.
Page generated: Tue Oct 29 08:20:06 2024
|