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PDBsum entry 2qrb
Go to PDB code:
Ligand/metal interactions
PDB id
2qrb
Ligand highlighted
HEM
Ligands
NAG-NAG-MAN
×2
NAG 1(B) to MAN 3(B)
NAG 1(D) to MAN 3(D)
NAG-NAG
×2
NAG 1(C) to NAG 2(C)
NAG 1(E) to NAG 2(E)
SCN
SCN 618(A)
HEM
HEM 619(A)
Metals
_CA
CA 607(A)
_CL
×11
CL 608(A)
CL 609(A)
CL 610(A)
CL 606(A)
CL 611(A)
CL 612(A)
CL 613(A)
CL 614(A)
CL 615(A)
CL 616(A)
CL 617(A)
Ligand
HEM
-
Protoporphyrin IX containing fe
[Heme]
Formula:
C
34
H
32
FeN
4
O
4
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
HEM 619(A)
43
43
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
HEM 619(A)
O2D: O1D
|
O1D: O2D
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 cofactor heme b with similarity 95.45%
LIGPLOT
of interactions involving ligand HEM
List of
interactions
HEM 619(A)
_CA
_CL
×11
