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PDBsum entry 1r1s
Go to PDB code:
Ligand/metal interactions
PDB id
1r1s
4 instances of ligand highlighted
ACE-PRO-ASP-PTR-
GLU-ASN-LEU
Ligands
ACE-PRO-ASP-PTR-
GLU-ASN-LEU
×4
ACE 555(B) to LEU 561(B)
SO4
×7
SO4 3484(A)
SO4 3486(A)
SO4 3483(E)
Ligand
ACE-PRO-ASP-PTR-GLU-ASN-LEU
ACE
-
Acetyl group
Formula:
C
2
H
4
O
PTR
-
O-Phosphotyrosine [Phosphonotyrosine]
Formula:
C
9
H
12
NO
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
ACE 555(B)
3
-
-
-
Residue too small to validate
PRO 556(B)
8
8
1
1
Complete
Chiral checks - OK
ASP 557(B)
9
9
1
1
Complete
Chiral checks - OK
PTR 558(B)
17
17
1
1
Complete
Chiral checks - OK
GLU 559(B)
10
10
1
1
Complete
Chiral checks - OK
ASN 560(B)
9
9
1
1
Complete
Chiral checks - OK
LEU 561(B)
9
9
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
ACE 555(B)
-
0
PRO 556(B)
-
0
ASP 557(B)
OD2: OD1
|
OD1: OD2
|
O: OXT
3
PTR 558(B)
O2P: O1P
|
O1P: O3P
2
GLU 559(B)
OE2: OE1
|
OE1: OE2
|
O: OXT
3
ASN 560(B)
O: OXT
1
LEU 561(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 ACE-PRO-ASP-PTR-GLU-ASN-LEU
List of
interactions
ACE 555(B) to LEU 561(B)
also representing 3 other equivalent ligands:
ACE 555(D) to LEU 561(D)
ACE 555(F) to LEU 561(F)
ACE 555(H) to LEU 561(H)
