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PDBsum entry 3v6q
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Ligand/metal interactions
PDB id
3v6q
Ligand highlighted
HEM
Ligands
NAG-NAG
NAG 1(B) to NAG 2(B)
HEM
HEM 601(A)
NAG
×2
NAG 603(A)
NAG 606(A)
MPD
MPD 617(A)
EDO
×2
EDO 618(A)
EDO 619(A)
SCN
SCN 620(A)
CMO
CMO 621(A)
Metals
_CA
CA 602(A)
IOD
×9
IOD 607(A)
IOD 608(A)
IOD 609(A)
IOD 610(A)
IOD 611(A)
IOD 612(A)
IOD 613(A)
IOD 614(A)
IOD 615(A)
_BR
BR 616(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 601(A)
43
43
0
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
HEM 601(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 601(A)
_CA
IOD
×9
_BR
