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PDBsum entry 2mpa
Go to PDB code:
Ligand/metal interactions
PDB id
2mpa
Ligand highlighted
THC-LYS-ASP-THR-
ASN-ASN-ASN-LEU-
CYF
Ligands
THC-LYS-ASP-THR-
ASN-ASN-ASN-LEU-
CYF
THC 1(P) to CYF 9(P)
Metals
_CD
CD 220(L)
Ligand
THC-LYS-ASP-THR-ASN-ASN-ASN-LEU-CYF
THC
-
N-Methylcarbonylthreonine
Formula:
C
6
H
11
NO
4
CYF
-
5-[2-(2-Amino-2-Carbamoyl-Ethylsulfanyl)-Acetylamino]- 2-(3,6-Dihydroxy-9,9a-Dihydro-3h-Xanthen-9-Yl)-Benzoic acid
Formula:
C
25
H
23
N
3
O
7
S
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
THC 1(P)
11
11
1
1
Complete
Chiral checks - OK
LYS 2(P)
10
10
1
1
Complete
Chiral checks - OK
ASP 3(P)
9
9
1
1
Complete
Chiral checks - OK
THR 4(P)
8
8
1
1
Complete
Chiral checks - OK
ASN 5(P)
9
9
1
1
Complete
Chiral checks - OK
ASN 6(P)
9
9
1
1
Complete
Chiral checks - OK
ASN 7(P)
9
9
1
1
Complete
Chiral checks - OK
LEU 8(P)
9
9
1
1
Complete
Chiral checks - OK
CYF 9(P)
36
36
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
THC 1(P)
-
0
LYS 2(P)
-
0
ASP 3(P)
-
0
THR 4(P)
O: OXT
1
ASN 5(P)
-
0
ASN 6(P)
-
0
ASN 7(P)
O: OXT
1
LEU 8(P)
O: OXT
1
CYF 9(P)
-
0
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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LIGPLOT
of interactions involving ligand THC-LYS-ASP-THR-ASN-ASN-ASN-LEU-CYF
List of
interactions
THC 1(P) to CYF 9(P)
_CD
