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PDBsum entry 4jt0
Go to PDB code:
Ligand/metal interactions
PDB id
4jt0
Ligand highlighted
ACA-TY5-ALA-RE0-
ABN
Ligands
TY5-ALA-RE0-ABN
TY5 1(c) to ABN 4(c)
ACA-TY5-ALA-RE0-
ABN
ACA 3(d) to ABN 7(d)
MES
×2
MES 301(K)
0L1
0L1 101(c)
Ligand
ACA-TY5-ALA-RE0-ABN
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
ACA
-
6-Aminohexanoic acid [Aminocaproic acid]
Formula:
C
6
H
13
NO
2
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
ACA 3(d)
9
5
1
1
4
0
-
-
-
-
TY5 4(d)
20
20
1
1
0
0
0
0
0
0
ALA 5(d)
6
-
-
-
-
-
-
-
-
-
RE0 6(d)
17
17
1
1
0
0
0
0
0
0
ABN 7(d)
8
8
0
0
0
0
0
0
0
0
Advanced Analysis
Residue
Name Mismatches
Count
ACA 3(d)
O1: O2
1
TY5 4(d)
-
0
ALA 5(d)
-
0
RE0 6(d)
-
0
ABN 7(d)
-
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 3(d) to ABN 7(d)
