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DB00121 : biotin

Approved nutraceutical biotin ... 9 targets DB00121

Generic name: biotin PDB Het Group: BTN
 
83 structures in PDB
Brand name(s): biodermatin, bioepiderm, bios ii, biotin forte, factor s, lutavit h2, meribin, rovimix h2.
Formula: C10H16N2O3S
IUPAC Formula: 5-[(3as,4s,6ar)-2-Oxo-Hexahydro-1h-Thieno[3,4-D]imidazolidin-4-Yl]pentanoic acid
PDB name: Biotin

9
There are 9 target proteins defined in DrugBank for this nutraceutical.
 5 
5 of these target proteins have one or more structures in the PDB.
 81 
There are 81 PDB structures containing the nutraceutical molecule bound to a protein that is not specified as a target.
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Target proteins

DrugBank nutraceutical Target 1:   UniProt id: P05166 (PCCB_HUMAN)  -  Propionyl-CoA carboxylase beta chain, mitochondrial
UniProt id: P05166    539 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank nutraceutical Target 2:   UniProt id: P50747 (BPL1_HUMAN)  -  Biotin--protein ligase
UniProt id: P50747    726 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank nutraceutical Target 3:   UniProt id: Q9Y289 (SC5A6_HUMAN)  -  Sodium-dependent multivitamin transporter
UniProt id: Q9Y289    635 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank nutraceutical Target 4:   UniProt id: Q9HCC0 (MCCB_HUMAN)  -  Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial
UniProt id: Q9HCC0    563 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank nutraceutical Target 5:   UniProt id: O00763 (ACACB_HUMAN)  -  Acetyl-CoA carboxylase 2
UniProt id: O00763    2457 a.a.  
1. 3ff6 A,B,C,D     750 a.a. 749   X-ray 3.19 Å
  2. 3tdc A     720 a.a. 719   X-ray 2.41 Å
  3. 3jrx A     496 a.a. 496   X-ray 2.50 Å
  4. 2hjw A     494 a.a. 494   X-ray 2.50 Å
  5. 3jrw A     498 a.a. 494   X-ray 2.60 Å
   more ...
There are no PDB entries containing biotin bound to this target protein, although there are 10 entries of the target protein (click the orange, plus icon for a list).
DrugBank nutraceutical Target 6:   UniProt id: Q96RQ3 (MCCA_HUMAN)  -  Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrial
UniProt id: Q96RQ3    724 a.a.  
2ejm A     99 a.a. 87   NMR  
There are no PDB entries containing biotin bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank nutraceutical Target 7:   UniProt id: P11498 (PYC_HUMAN)  -  Pyruvate carboxylase, mitochondrial
UniProt id: P11498    1177 a.a.  
1. 3bg3 A,D     679 a.a. 678   X-ray 2.80 Å
  2. 3bg9 A,B,C,D     601 a.a. 600   X-ray 3.00 Å
There are no PDB entries containing biotin bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank nutraceutical Target 8:   UniProt id: P05165 (PCCA_HUMAN)  -  Propionyl-CoA carboxylase alpha chain, mitochondrial
UniProt id: P05165    727 a.a.  
1. 2cqy A     108 a.a. 97   NMR  
  2. 2jku A     35 a.a. 35   X-ray 1.50 Å
There are no PDB entries containing biotin bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank nutraceutical Target 9:   UniProt id: Q13085 (ACACA_HUMAN)  -  Acetyl-CoA carboxylase 1
UniProt id: Q13085    2345 a.a.  
1. 4asi A,B,C,D,...     751 a.a. 751   X-ray 2.80 Å
  2. 2yl2 A,B     482 a.a. 482   X-ray 2.30 Å
  3. 3coj K     12 a.a. 11   X-ray 3.21 Å
There are no PDB entries containing biotin bound to this target protein, although there are 3 entries of the target protein (click the orange, plus icon for a list).

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.

 

Other proteins with biotin bound in the PDB

There are 25 "non-target" proteins in the PDB containing the biotin molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the nutraceutical targets listed above. Only 10 of the 25 proteins are listed below.

Protein 1:   UniProt id: A2RMJ9 ()  -  Biotin transporter BioY OS=Lactococcus lactis subsp. cremoris (strain MG1363) GN=bioY PE=1 SV=1
UniProt id: A2RMJ9    189 a.a.  
4dve A,B,C   189 a.a. 188   X-ray 2.09 Å
The PDB contains 1 entry of biotin bound to this protein
Protein 2:   UniProt id: A7YYL1 ()  -  Avd protein OS=Xenopus tropicalis GN=avd PE=1 SV=1
UniProt id: A7YYL1    147 a.a.  
1. 2uyw A,D   119 a.a. 118   X-ray 1.70 Å
  2. 2uz2 D   119 a.a. 118   X-ray 1.70 Å
The PDB contains 2 entries of biotin bound to this protein
Protein 3:   UniProt id: B9A0T7 ()  -  Tamavidin2 OS=Pleurotus cornucopiae GN=tam2 PE=1 SV=1
UniProt id: B9A0T7    140 a.a.  
2zsc A,B   123 a.a. 123   X-ray 1.30 Å
The PDB contains 1 entry of biotin bound to this protein
Protein 4:   UniProt id: C0H419 ()  -  Biotin/lipoyl attachment protein OS=Bacillus subtilis (strain 168) GN=yngHB PE=1 SV=1
UniProt id: C0H419    72 a.a.  
2b8g A   72 a.a. 72   NMR  
The PDB contains 1 entry of biotin bound to this protein
Protein 5:   UniProt id: C8N5A9 ()  -  Biotin ligase OS=Staphylococcus aureus A9781 GN=SAOG_00031 PE=1 SV=1
UniProt id: C8N5A9    322 a.a.  
3v8k A   322 a.a. 322   X-ray 3.23 Å
The PDB contains 1 entry of biotin bound to this protein
Protein 6:   UniProt id: E5R5T0 ()  -  Biotin-[acetyl-CoA-carboxylase] ligase OS=Staphylococcus aureus (strain ECT-R 2) GN=ECTR2_1310 PE=1 SV=1
UniProt id: E5R5T0    322 a.a.  
3rky A   322 a.a. 321   X-ray 3.23 Å
The PDB contains 1 entry of biotin bound to this protein
Protein 7:   UniProt id: E7F650 ()  -  Uncharacterized protein OS=Danio rerio GN=LOC567678 PE=4 SV=1
UniProt id: E7F650    167 a.a.  
4bj8 A,B,C,D,...   119 a.a. 118   X-ray 2.40 Å
The PDB contains 1 entry of biotin bound to this protein
Protein 8:   UniProt id: O57883 ()  -  235aa long hypothetical biotin--[acetyl-CoA-carboxylase] ligase OS=Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3) GN=PH0147 PE=1 SV=1
UniProt id: O57883    234 a.a.  
1. 2dto A,B   235 a.a. 234   X-ray 1.50 Å
  2. 1wpy A,B   235 a.a. 234   X-ray 1.60 Å
  3. 2fyk A,B   235 a.a. 234   X-ray 1.60 Å
  4. 2dth A,B   235 a.a. 234   X-ray 1.95 Å
  5. 2dxt A,B   235 a.a. 233   X-ray 1.60 Å
   more ...
The PDB contains 9 entries of biotin bound to this protein
Protein 9:   UniProt id: O66837 ()  -  Biotin [acetyl-CoA-carboxylase] ligase OS=Aquifex aeolicus (strain VF5) GN=birA PE=1 SV=1
UniProt id: O66837    232 a.a.  
1. 3efs A,B   232 a.a. 231   X-ray 2.30 Å
  2. 3efr A,B   233 a.a. 230   X-ray 2.55 Å
The PDB contains 2 entries of biotin bound to this protein
Protein 10:   UniProt id: P02701 ()  -  Avidin OS=Gallus gallus GN=AVD PE=1 SV=3
UniProt id: P02701    152 a.a.  
1. 1avd A,B   123 a.a. 121   X-ray 2.70 Å
  2. 2avi A,B   121 a.a. 119   X-ray 3.00 Å
  3. 2c4i A   242 a.a. 104   X-ray 1.95 Å
  4. 2jgs A   109 a.a. 73   X-ray 1.90 Å
The PDB contains 4 entries of biotin bound to this protein

Key:    PfamA domain  Secondary structure  Bound drug molecule

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

Where there is more than one PDB model for a given UniProt sequence, the models are ordered by: 1. decreasing order of similarity to the UniProt sequence, 2. X-ray structures (in order of increasing resolution), NMR structures, and theoretical models. Clicking on any PDB code take you to the corresponding PDBsum page.

 

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