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PDBsum entry 6q8h
Go to PDB code:
Ligand/metal interactions
PDB id
6q8h
2 instances of ligand highlighted
DLE-DLE-DLY-DAL-
DLE-DLY-DLY-DLE-
DAL-DLY-DLY-DTY-
DLY
Ligands
DLE-DLE-DLY-DAL-
DLE-DLY-DLY-DLE-
DAL-DLY-DLY-DTY-
DLY
×2
DLE 2(B) to DLY 14(B)
DLE 2(C) to DLY 14(C)
ZDC
×2
ZDC 101(B)
ZDC 101(C)
NH2
×2
NH2 102(B)
NH2 102(C)
Metals
_CA
×2
CA 302(A)
CA 301(A)
Ligand
DLE-DLE-DLY-DAL-DLE-DLY-DLY-DLE-DAL-DLY-DLY-DTY-DLY
DLE
-
D-Leucine
Formula:
C
6
H
13
NO
2
DLY
-
D-Lysine
Formula:
C
6
H
14
N
2
O
2
DAL
-
D-Alanine
Formula:
C
3
H
7
NO
2
DTY
-
D-Tyrosine
Formula:
C
9
H
11
NO
3
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
DLE 3(B)
9
9
1
1
Complete
Chiral checks - OK
DLY 4(B)
10
10
1
1
Complete
Chiral checks - OK
DAL 5(B)
6
-
-
-
Residue too small to validate
DLE 6(B)
9
9
1
1
Complete
Chiral checks - OK
DLY 7(B)
10
10
1
1
Complete
Chiral checks - OK
DLY 8(B)
10
10
1
1
Complete
Chiral checks - OK
DLE 9(B)
9
9
1
1
Complete
Chiral checks - OK
DAL 10(B)
6
-
-
-
Residue too small to validate
DLY 11(B)
10
10
1
1
Complete
Chiral checks - OK
DLY 12(B)
10
10
1
1
Complete
Chiral checks - OK
DTY 13(B)
13
13
1
1
Complete
Chiral checks - OK
DLY 14(B)
10
10
1
1
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
DLE 3(B)
-
0
DLY 4(B)
O: OXT
1
DAL 5(B)
-
0
DLE 6(B)
O: OXT
1
DLY 7(B)
-
0
DLY 8(B)
O: OXT
1
DLE 9(B)
O: OXT
1
DAL 10(B)
-
0
DLY 11(B)
-
0
DLY 12(B)
-
0
DTY 13(B)
O: OXT
1
DLY 14(B)
O: OXT
1
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
Use mouse to move/zoom
3D Viewers:
LIGPLOT
of interactions involving ligand DLE-DLE-DLY-DAL-DLE-DLY-DLY-DLE-DAL-DLY-DLY-DTY-DLY
List of
interactions
DLE 2(B) to DLY 14(B)
_CA
×2
