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PDBsum entry 1rb3
Go to PDB code:
Ligand/metal interactions
PDB id
1rb3
2 instances of ligand highlighted
MTX
Ligands
MTX
×2
MTX 161(A)
NAP
×2
NAP 164(A)
Ligand
MTX
-
Methotrexate
Formula:
C
20
H
22
N
8
O
5
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
MTX 161(A)
33
33
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
MTX 161(A)
OE2: OE1
|
OE1: OE2
2
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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3D Viewers:
Ligand matches this enzyme's product 7,8-dihydrofolate with similarity 91.18%
LIGPLOT
of interactions involving ligand MTX
List of
interactions
MTX 161(A)
(also representing equivalent ligand MTX 161(B) )
