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PDBsum entry 2wna
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Ligand/metal interactions
PDB id
2wna
ZGU-ZBC-ZGU-ZCY-
ZGU-ZCY
Ligands
ZGU-ZBC-ZGU-ZCY-
ZGU-ZCY
ZGU 1(A) to ZCY 6(A)
NCO
×2
NCO 1001(A)
NCO 1002(A)
Metals
_MG
MG 1003(A)
Ligand
ZGU-ZBC-ZGU-ZCY-ZGU-ZCY
ZGU
-
(S)-1'-(2',3'-Dihydroxypropyl)-Guanine
Formula:
C
8
H
12
N
5
O
6
P
ZBC
-
(2s)-3-(4-Amino-5-Bromo-2-Oxopyrimidin-1(2h)-Yl)-2- Hydroxypropyl dihydrogen phosphate
Formula:
C
7
H
11
BrN
3
O
6
P
ZCY
-
(S)-1'-(2',3'-Dihydroxypropyl)-Cytosine
Formula:
C
7
H
12
N
3
O
6
P
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
ZGU 1(A)
20
16
0
0
4
0
-
-
-
-
ZBC 2(A)
18
18
1
0
0
0
0
0
0
0
ZGU 3(A)
20
20
1
0
0
0
0
0
0
0
ZCY 4(A)
17
17
1
0
0
0
0
0
0
0
ZGU 5(A)
20
20
1
0
0
0
0
0
0
0
ZCY 6(A)
17
17
1
0
0
0
0
0
0
0
Advanced Analysis
Residue
Name Mismatches
Count
ZGU 1(A)
-
0
ZBC 2(A)
-
0
ZGU 3(A)
-
0
ZCY 4(A)
O2P: O1P
|
O1P: OXT
2
ZGU 5(A)
-
0
ZCY 6(A)
O2P: O1P
|
O1P: OXT
2
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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LIGPLOT
of interactions involving ligand ZGU-ZBC-ZGU-ZCY-ZGU-ZCY
List of
interactions
ZGU 1(A) to ZCY 6(A)
_MG
