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DB00536 : guanidine

Approved drug guanidine ... 8 targets DB00536

Generic name: guanidine PDB Het Group: GAI
 
53 structures in PDB
Brand name(s): guanidine hydrochloride.
Formula: Ch5N3
IUPAC Formula: Guanidine
PDB name: Guanidine

8
There are 8 target proteins defined in DrugBank for this drug.
 7 
7 of these target proteins have one or more structures in the PDB.
 22 
There are 22 PDB structures of the drug molecule bound to its target protein.
 30 
There are 30 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
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Target proteins

DrugBank drug Target 1:   UniProt id: P0A6E4 (ASSY_ECOLI)  -  Argininosuccinate synthase
UniProt id: P0A6E4    446 a.a.  
1. 1kp3 A   439 a.a. 439   X-ray 2.00 Å
  2. 1kp2 A   431 a.a. 431   X-ray 2.00 Å
The PDB contains 2 entries of guanidine bound to this target protein and 4 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 2:   UniProt id: Q14353 (GAMT_HUMAN)  -  Guanidinoacetate N-methyltransferase
  No Pfam domain assignments available for this protein.
1. 3orh A,B,C     230 a.a. 230   X-ray 1.86 Å
  2. 1zx0 A,B,C,D     229 a.a. 229   X-ray 1.86 Å
There are no PDB entries containing guanidine bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 3:   UniProt id: P07998 (RNAS1_HUMAN)  -  Ribonuclease pancreatic
UniProt id: P07998    155 a.a.  
1. 2k11 A     127 a.a. 127   NMR  
  2. 2e0j A,B     128 a.a. 126   X-ray 1.60 Å
  3. 1z7x X,Z     126 a.a. 126   X-ray 1.95 Å
  4. 2q4g X,Z     126 a.a. 126   X-ray 1.95 Å
  5. 2e0l A,B     128 a.a. 125   X-ray 1.60 Å
   more ...
There are no PDB entries containing guanidine bound to this target protein, although there are 12 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   Bacterial outer membrane
  No Pfam domain assignments available for this protein.
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 5:   UniProt id: P78352 (DLG4_HUMAN)  -  Disks large homolog 4
UniProt id: P78352    723 a.a.  
1. 3zrt A,B,C     197 a.a. 188   X-ray 3.40 Å
  2. 3i4w A,B,C,D     97 a.a. 96   X-ray 1.35 Å
  3. 3k82 A     97 a.a. 96   X-ray 1.40 Å
  4. 1kef A     93 a.a. 93   NMR  
  5. 2mes B     19 a.a. 18   NMR  
There are no PDB entries containing guanidine bound to this target protein, although there are 5 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 6:   UniProt id: P00720 (ENLYS_BPT4)  -  Lysozyme
UniProt id: P00720    163 a.a.  
1. 2f2q A   175 a.a. 157   X-ray 1.45 Å
  2. 1t8a A   175 a.a. 157   X-ray 2.00 Å
  3. 229l A   162 a.a. 156   X-ray 1.80 Å
The PDB contains 3 entries of guanidine bound to this target protein and 596 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 7:   UniProt id: P05091 (ALDH2_HUMAN)  -  Aldehyde dehydrogenase, mitochondrial
UniProt id: P05091    516 a.a.  
1. 3inj A,B,C,D,...   494 a.a. 494   X-ray 1.69 Å
  2. 1o02 A,B,C,D,...   494 a.a. 494   X-ray 1.90 Å
  3. 3sz9 A,B,C,D,...   494 a.a. 494   X-ray 2.10 Å
  4. 4kwg A,B,C,D,...   494 a.a. 494   X-ray 2.10 Å
  5. 1o01 A,B,C,D,...   494 a.a. 494   X-ray 2.15 Å
   more ...
The PDB contains 14 entries of guanidine bound to this target protein and 27 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 8:   UniProt id: P53608 (ARGI_BACCD)  -  Arginase
UniProt id: P53608    298 a.a.  
1. 2cev A,B,C,D,...   298 a.a. 298   X-ray 2.15 Å
  2. 5cev A,B,C,D,...   298 a.a. 298   X-ray 2.50 Å
  3. 4cev A,B,C,D,...   298 a.a. 298   X-ray 2.70 Å
The PDB contains 3 entries of guanidine bound to this target protein and 5 entries of this target protein in all (click on orange, plus icon for list).

Key:    PfamA domain  Secondary structure  Bound drug molecule

The black crosses on the secondary structure diagrams indicate where the PDB and UniProt sequences differ.

 

Other proteins with guanidine bound in the PDB

There are 26 "non-target" proteins in the PDB containing the guanidine molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the drug targets listed above. Only 10 of the 26 proteins are listed below.

Protein 1:   UniProt id: A1XQQ8 ()  -  Polyprotein OS=Infectious pancreatic necrosis virus PE=1 SV=1
UniProt id: A1XQQ8    971 a.a.  
2pnl A,B,C,D,...   203 a.a. 202   X-ray 2.21 Å
The PDB contains 1 entry of guanidine bound to this protein
Protein 2:   UniProt id: A3SMJ4 ()  -  Mandelate racemase/muconate lactonizing enzyme family protein OS=Roseovarius nubinhibens ISM GN=ISM_12500 PE=1 SV=1
UniProt id: A3SMJ4    366 a.a.  
3u4f A,B,C,D   371 a.a. 366   X-ray 1.90 Å
The PDB contains 1 entry of guanidine bound to this protein
Protein 3:   UniProt id: D3RVD4 ()  -  Thiosulfate dehydrogenase OS=Allochromatium vinosum (strain ATCC 17899 / DSM 180 / NBRC 103801 / D) GN=tsdA PE=1 SV=1
UniProt id: D3RVD4    269 a.a.  
4wqd A   227 a.a. 225   X-ray 1.22 Å
The PDB contains 1 entry of guanidine bound to this protein
Protein 4:   UniProt id: O15151 ()  -  Protein Mdm4 OS=Homo sapiens GN=MDM4 PE=1 SV=2
UniProt id: O15151    489 a.a.  
3eqy A,B   84 a.a. 81   X-ray 1.63 Å
The PDB contains 1 entry of guanidine bound to this protein
Protein 5:   UniProt id: O57962 ()  -  Putative uncharacterized protein PH0223 OS=Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3) GN=PH0223 PE=1 SV=1
UniProt id: O57962    189 a.a.  
2ddz A,B,C,D,...   188 a.a. 188   X-ray 2.24 Å
The PDB contains 1 entry of guanidine bound to this protein
Protein 6:   UniProt id: O58720 ()  -  Divalent-cation tolerance protein CutA OS=Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3) GN=cutA PE=1 SV=1
UniProt id: O58720    101 a.a.  
1umj A,B   101 a.a. 100   X-ray 1.60 Å
The PDB contains 1 entry of guanidine bound to this protein
Protein 7:   UniProt id: P00722 ()  -  Beta-galactosidase OS=Escherichia coli (strain K12) GN=lacZ PE=1 SV=2
UniProt id: P00722    1023 a.a.  
3mv1 1,2,3,4   1011 a.a. 1010   X-ray 2.20 Å
The PDB contains 1 entry of guanidine bound to this protein
Protein 8:   UniProt id: P04292 ()  -  DNA polymerase catalytic subunit OS=Human herpesvirus 1 (strain KOS) GN=UL30 PE=1 SV=1
UniProt id: P04292    1234 a.a.  
2gv9 B   1035 a.a. 1035   X-ray 2.68 Å
The PDB contains 1 entry of guanidine bound to this protein
Protein 9:   UniProt id: P10868 ()  -  Guanidinoacetate N-methyltransferase OS=Rattus norvegicus GN=Gamt PE=1 SV=2
  No Pfam domain assignments available for this protein.
1xcl A   229 a.a. 228   X-ray 2.00 Å
The PDB contains 1 entry of guanidine bound to this protein
Protein 10:   UniProt id: P23685 ()  -  Sodium/calcium exchanger 1 OS=Canis familiaris GN=SLC8A1 PE=1 SV=1
UniProt id: P23685    969 a.a.  
2dpk A   124 a.a. 121   X-ray 2.50 Å
The PDB contains 1 entry of guanidine bound to this protein

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

The black crosses on the secondary structure diagrams indicate where the PDB and UniProt sequences differ.

 

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