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PDBsum entry 4jsu
Go to PDB code:
Ligand/metal interactions
PDB id
4jsu
4 instances of ligand highlighted
ACA-TY5-ALA-RE0-
ABN
Ligands
ACA-TY5-ALA-RE0-
ABN
×4
ACA 4(c) to ABN 8(c)
ACA 4(e) to ABN 8(e)
MES
×2
MES 301(K)
Ligand
ACA-TY5-ALA-RE0-ABN
ACA
-
6-Aminohexanoic acid [Aminocaproic acid]
Formula:
C
6
H
13
NO
2
TY5
-
O-Benzyl-L-Tyrosine
Formula:
C
16
H
7
NO
3
RE0
-
3-[(3r)-3-Hydroxy-2-Oxo-2,3-Dihydro-1h-Indol-3-Yl]-L- Alanine
Formula:
C
11
H
12
N
2
O
4
ABN
-
Benzylamine
Formula:
C
7
H
9
N
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
ACA 4(c)
9
9
1
1
Complete
Chiral checks - OK
TY5 5(c)
20
20
1
1
Complete
Chiral checks - OK
ALA 6(c)
6
-
-
-
Residue too small to validate
RE0 7(c)
17
17
1
1
Complete
Chiral checks - OK
ABN 8(c)
8
8
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
ACA 4(c)
-
0
TY5 5(c)
-
0
ALA 6(c)
-
0
RE0 7(c)
O: OXT
1
ABN 8(c)
-
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 ACA-TY5-ALA-RE0-ABN
List of
interactions
ACA 4(c) to ABN 8(c)
(also representing equivalent ligand ACA 4(d) to ABN 8(d) )
