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PDBsum entry 1shr
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Ligand/metal interactions
PDB id
1shr
Ligand highlighted
CYN-HEM
Ligands
CYN
×9
CYN 143(A)
CYN 348(B)
CYN 804(B)
CYN 805(D)
CYN 806(D)
HEM
×3
HEM 142(A)
HEM 347(B)
CYN-HEM
CYN 543(C) to HEM 542(C)
Metals
_FE
×3
FE 803(A)
FE 801(B)
FE 802(D)
Ligand
CYN-HEM
CYN
-
Cyanide ion
Formula:
CN
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 542(C)
43
43
0
0
Complete
Chiral checks - OK
CYN 543(C)
2
-
-
-
Residue too small to validate
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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of interactions involving ligand CYN-HEM
List of
interactions
CYN 543(C) to HEM 542(C)
_FE
×3
