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PDBsum entry 5nx2
Go to PDB code:
Ligand/metal interactions
PDB id
5nx2
Ligand highlighted
9DK-9DQ-GLY-THR-
9DT-THR-SER-ASP-
9DW-9DZ
Ligands
9DK-9DQ-GLY-THR-
9DT-THR-SER-ASP-
9DW-9DZ
9DK 1(B) to 9DZ 10(B)
NAG-NAG
NAG 1(C) to NAG 2(C)
NAG
NAG 603(A)
SOG
×3
SOG 604(A)
SOG 605(A)
SOG 606(A)
Ligand
9DK-9DQ-GLY-THR-9DT-THR-SER-ASP-9DW-9DZ
9DK
-
3-[2-(1~{h}-Imidazol-4-Yl)ethylamino]-2,2-Dimethyl-3- Oxidanylidene-Propanoic acid
Formula:
C
10
H
15
N
3
O
3
9DQ
-
(2~{s})-2-Azanyl-3-(1~{h}-1,2,3,4-Tetrazol-5-Yl) propanoic acid
Formula:
C
4
H
7
N
5
O
2
9DT
-
(2~{s})-2-Azanyl-3-(2-Fluorophenyl)-2-Methyl-Propanoic acid
Formula:
C
10
H
12
FNO
2
9DW
-
(2~{s})-2-Azanyl-3-[4-(2-Ethyl-4-Methoxy-Phenyl) phenyl]propanoic acid
Formula:
C
18
H
21
NO
3
9DZ
-
(2~{s})-2-Azanyl-5-(3,5-Dimethylphenyl)pentanamide
Formula:
C
13
H
20
N
2
O
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
9DK 1(B)
16
16
1
1
Complete
Chiral checks - OK
9DQ 2(B)
11
11
1
1
Complete
Chiral checks - OK
GLY 3(B)
5
-
-
-
Residue too small to validate
THR 4(B)
8
8
1
1
Complete
Chiral checks - OK
9DT 5(B)
14
14
1
1
Complete
Chiral checks - OK
THR 6(B)
8
8
1
1
Complete
Chiral checks - OK
SER 7(B)
7
7
1
1
Complete
Chiral checks - OK
ASP 8(B)
9
9
1
1
Complete
Chiral checks - OK
9DW 9(B)
22
22
1
1
Complete
Chiral checks - OK
9DZ 10(B)
16
16
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
9DK 1(B)
-
0
9DQ 2(B)
-
0
GLY 3(B)
-
0
THR 4(B)
O: OXT
1
9DT 5(B)
-
0
THR 6(B)
-
0
SER 7(B)
O: OXT
1
ASP 8(B)
-
0
9DW 9(B)
-
0
9DZ 10(B)
-
0
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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3D Viewers:
LIGPLOT
of interactions involving ligand 9DK-9DQ-GLY-THR-9DT-THR-SER-ASP-9DW-9DZ
List of
interactions
9DK 1(B) to 9DZ 10(B)
