Zinc in PDB 6yiq: Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One
Enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One
All present enzymatic activity of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One:
2.4.2.29;
Protein crystallography data
The structure of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One, PDB code: 6yiq
was solved by
A.Nguyen,
A.Heine,
G.Klebe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
43.56 /
1.58
|
Space group
|
P 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
70.959,
64.877,
87.456,
90.00,
94.99,
90.00
|
R / Rfree (%)
|
16 /
20.2
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One
(pdb code 6yiq). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the
Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One, PDB code: 6yiq:
Jump to Zinc binding site number:
1;
2;
Zinc binding site 1 out
of 2 in 6yiq
Go back to
Zinc Binding Sites List in 6yiq
Zinc binding site 1 out
of 2 in the Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn401
b:21.5
occ:0.88
|
ND1
|
A:HIS349
|
2.2
|
20.1
|
1.0
|
SG
|
A:CYS318
|
2.3
|
26.9
|
1.0
|
SG
|
A:CYS320
|
2.3
|
24.9
|
1.0
|
SG
|
A:CYS323
|
2.3
|
27.1
|
1.0
|
CE1
|
A:HIS349
|
3.0
|
22.2
|
1.0
|
HB3
|
A:CYS318
|
3.0
|
31.6
|
1.0
|
HE1
|
A:HIS349
|
3.0
|
26.6
|
1.0
|
HB2
|
A:CYS323
|
3.1
|
33.4
|
1.0
|
HB3
|
A:CYS320
|
3.1
|
32.3
|
1.0
|
H
|
A:CYS323
|
3.2
|
30.7
|
1.0
|
CB
|
A:CYS318
|
3.2
|
26.3
|
1.0
|
CB
|
A:CYS323
|
3.3
|
27.8
|
1.0
|
CB
|
A:CYS320
|
3.3
|
26.9
|
1.0
|
CG
|
A:HIS349
|
3.4
|
17.7
|
1.0
|
H
|
A:CYS320
|
3.5
|
36.7
|
1.0
|
HB2
|
A:HIS349
|
3.5
|
20.2
|
1.0
|
HA
|
A:HIS349
|
3.6
|
21.1
|
1.0
|
HB2
|
A:CYS318
|
3.6
|
31.6
|
1.0
|
HB
|
A:VAL322
|
3.8
|
34.5
|
1.0
|
CB
|
A:HIS349
|
3.8
|
16.9
|
1.0
|
N
|
A:CYS323
|
3.9
|
25.6
|
1.0
|
HB3
|
A:CYS323
|
4.0
|
33.4
|
1.0
|
HB2
|
A:CYS320
|
4.1
|
32.3
|
1.0
|
N
|
A:CYS320
|
4.1
|
30.6
|
1.0
|
HB2
|
A:LEU314
|
4.2
|
27.7
|
1.0
|
CA
|
A:HIS349
|
4.2
|
17.6
|
1.0
|
CA
|
A:CYS320
|
4.2
|
28.9
|
1.0
|
NE2
|
A:HIS349
|
4.2
|
20.4
|
1.0
|
CA
|
A:CYS323
|
4.2
|
28.4
|
1.0
|
HE22
|
A:GLN356
|
4.4
|
37.7
|
1.0
|
CD2
|
A:HIS349
|
4.4
|
19.4
|
1.0
|
HB3
|
A:ALA352
|
4.5
|
24.4
|
1.0
|
HB3
|
A:ASP315
|
4.5
|
34.7
|
1.0
|
H
|
A:ASP315
|
4.5
|
30.4
|
1.0
|
O
|
A:HIS349
|
4.6
|
18.8
|
1.0
|
CA
|
A:CYS318
|
4.6
|
29.9
|
1.0
|
HD12
|
A:LEU314
|
4.6
|
24.9
|
1.0
|
O
|
A:CYS320
|
4.6
|
28.0
|
1.0
|
C
|
A:CYS320
|
4.6
|
29.7
|
1.0
|
HA
|
A:CYS323
|
4.6
|
34.1
|
1.0
|
C
|
A:CYS318
|
4.7
|
30.6
|
1.0
|
CB
|
A:VAL322
|
4.7
|
28.8
|
1.0
|
HB3
|
A:HIS349
|
4.7
|
20.2
|
1.0
|
H
|
A:VAL322
|
4.8
|
33.8
|
1.0
|
C
|
A:HIS349
|
4.8
|
17.5
|
1.0
|
O
|
A:CYS318
|
4.8
|
29.5
|
1.0
|
HE2
|
A:HIS349
|
4.9
|
24.5
|
1.0
|
C
|
A:VAL322
|
5.0
|
27.1
|
1.0
|
|
Zinc binding site 2 out
of 2 in 6yiq
Go back to
Zinc Binding Sites List in 6yiq
Zinc binding site 2 out
of 2 in the Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Trna-Guanine Transglycosylase (Tgt) in Co-Crystallized Complex (P2) with 6-Amino-2-(Methylamino)-4-Phenethyl-1,7-Dihydro-8H-Imidazo[4,5- G]Quinazolin-8-One within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn401
b:19.6
occ:1.00
|
ND1
|
B:HIS349
|
2.2
|
18.3
|
1.0
|
SG
|
B:CYS320
|
2.3
|
18.1
|
1.0
|
SG
|
B:CYS318
|
2.3
|
21.1
|
1.0
|
SG
|
B:CYS323
|
2.3
|
19.2
|
1.0
|
HB3
|
B:CYS318
|
2.9
|
28.1
|
1.0
|
CE1
|
B:HIS349
|
3.0
|
19.4
|
1.0
|
HB2
|
B:CYS323
|
3.0
|
20.7
|
1.0
|
HE1
|
B:HIS349
|
3.0
|
23.3
|
1.0
|
HB3
|
B:CYS320
|
3.2
|
23.2
|
1.0
|
CB
|
B:CYS318
|
3.2
|
23.4
|
1.0
|
CB
|
B:CYS323
|
3.3
|
17.2
|
1.0
|
CG
|
B:HIS349
|
3.3
|
16.6
|
1.0
|
H
|
B:CYS323
|
3.3
|
23.2
|
1.0
|
CB
|
B:CYS320
|
3.4
|
19.3
|
1.0
|
HB2
|
B:HIS349
|
3.4
|
18.4
|
1.0
|
H
|
B:CYS320
|
3.5
|
28.3
|
1.0
|
HA
|
B:HIS349
|
3.6
|
17.5
|
1.0
|
HB2
|
B:CYS318
|
3.6
|
28.1
|
1.0
|
CB
|
B:HIS349
|
3.8
|
15.3
|
1.0
|
HB
|
B:VAL322
|
3.9
|
22.4
|
1.0
|
N
|
B:CYS323
|
3.9
|
19.3
|
1.0
|
HB3
|
B:CYS323
|
4.0
|
20.7
|
1.0
|
HB2
|
B:CYS320
|
4.1
|
23.2
|
1.0
|
N
|
B:CYS320
|
4.1
|
23.6
|
1.0
|
CA
|
B:HIS349
|
4.2
|
14.6
|
1.0
|
HB2
|
B:LEU314
|
4.2
|
22.2
|
1.0
|
NE2
|
B:HIS349
|
4.2
|
18.1
|
1.0
|
CA
|
B:CYS323
|
4.2
|
19.2
|
1.0
|
CA
|
B:CYS320
|
4.2
|
21.6
|
1.0
|
CD2
|
B:HIS349
|
4.3
|
17.5
|
1.0
|
HE22
|
B:GLN356
|
4.4
|
35.8
|
1.0
|
HB3
|
B:ALA352
|
4.5
|
21.0
|
1.0
|
HD12
|
B:LEU314
|
4.5
|
22.0
|
1.0
|
HB3
|
B:ASP315
|
4.5
|
31.1
|
1.0
|
CA
|
B:CYS318
|
4.5
|
23.7
|
1.0
|
O
|
B:HIS349
|
4.6
|
16.7
|
1.0
|
HA
|
B:CYS323
|
4.6
|
23.0
|
1.0
|
H
|
B:ASP315
|
4.6
|
25.3
|
1.0
|
C
|
B:CYS320
|
4.7
|
20.8
|
1.0
|
O
|
B:CYS320
|
4.7
|
20.0
|
1.0
|
HB3
|
B:HIS349
|
4.7
|
18.4
|
1.0
|
C
|
B:CYS318
|
4.7
|
24.3
|
1.0
|
C
|
B:HIS349
|
4.8
|
15.6
|
1.0
|
H
|
B:VAL322
|
4.8
|
23.1
|
1.0
|
CB
|
B:VAL322
|
4.8
|
18.7
|
1.0
|
O
|
B:CYS318
|
4.9
|
24.8
|
1.0
|
HE2
|
B:HIS349
|
4.9
|
21.7
|
1.0
|
C
|
B:VAL322
|
5.0
|
19.6
|
1.0
|
HA
|
B:CYS318
|
5.0
|
28.4
|
1.0
|
|
Reference:
A.Nguyen,
A.Heine,
G.Klebe.
Co-Crystallization, 19F uc(Nmr) and Nanoesi-Ms Reveal Dimer Disturbing Inhibitors and Conformational Changes at Dimer Contacts To Be Published.
Page generated: Wed Dec 16 13:16:43 2020
|