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PDBsum entry 3nif
Go to PDB code:
Ligand/metal interactions
PDB id
3nif
2 instances of ligand highlighted
NIF
Ligands
NAG-NAG-MAN-MAN
NAG 1(G) to MAN 4(G)
NAG-NAG
×2
NAG 1(I) to NAG 2(I)
NAG-NAG-MAN
NAG 1(J) to MAN 3(J)
NIF
×2
NIF 455(A)
GOL
×8
GOL 456(A)
GOL 457(A)
GOL 458(A)
GOL 459(A)
GOL 460(A)
GOL 461(A)
GOL 472(B)
SO4
×18
SO4 462(A)
SO4 463(A)
SO4 464(A)
SO4 465(A)
SO4 466(A)
SO4 473(B)
SO4 457(C)
SO4 460(C)
SO4 461(C)
SO4 474(D)
SO4 475(D)
SO4 222(H)
SO4 215(L)
SO4 216(L)
NAG
×2
NAG 3099(B)
Metals
_CA
×12
CA 2004(A)
CA 2005(A)
CA 2006(A)
CA 2007(A)
CA 2002(B)
CA 2003(B)
_MG
×2
MG 2001(B)
Ligand
NIF
-
2-Ethyl-7-Piperazin-1-Yl-5h-[1,3,4]thiadiazolo[3,2-
A]pyrimidin-5-One
Formula:
C
11
H
15
N
5
OS
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
NIF 455(A)
18
18
0
0
Complete
Chiral checks - OK
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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of interactions involving ligand NIF
List of
interactions
NIF 455(A)
(also representing equivalent ligand NIF 455(C) )
_CA
×12
_MG
×2
