Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T36806 | Target Info | |||
| Target Name | Kidney-type arginase (ARG2) | ||||
| Synonyms | Non-hepatic arginase; Human penile arginase; Arginase II; ARG2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | ARG2 | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Benzamidine | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C=C1)C(=N)N | ||||
| InChI | 1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) | ||||
| InChIKey | PXXJHWLDUBFPOL-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 2332 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4HZE Crystal structure of human Arginase-2 complexed with inhibitor 9 | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [1] |
| PDB Sequence |
HSVAVIGAPF
33 SQGQKRKGVE43 HGPAAIREAG53 LMKRLSSLGC63 HLKDFGDLSF73 TPVPKDDLYN 83 NLIVNPRSVG93 LANQELAEVV103 SRAVSDGYSC113 VTLGGDHSLA123 IGTISGHARH 133 CPDLCVVWVD143 AHADINTPLT153 TSSGNLHGQP163 VSFLLRELQD173 KVPQLPGFSW 183 IKPCISSASI193 VYIGLRDVDP203 PEHFILKNYD213 IQYFSMRDID223 RLGIQKVMER 233 TFDLLIGKRQ243 RPIHLSFDID253 AFDPTLAPAT263 GTPVVGGLTY273 REGMYIAEEI 283 HNTGLLSALD293 LVEVNPQLAT303 SEEEAKTTAN313 LAVDVIASSF323 GQTREG |
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| PDB ID: 4I06 Crystal structure of human Arginase-2 complexed with inhibitor 14 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
HSVAVIGAPF
33 SQGQKRKGVE43 HGPAAIREAG53 LMKRLSSLGC63 HLKDFGDLSF73 TPVPKDDLYN 83 NLIVNPRSVG93 LANQELAEVV103 SRAVSDGYSC113 VTLGGDHSLA123 IGTISGHARH 133 CPDLCVVWVD143 AHADINTPLT153 TSSGNLHGQP163 VSFLLRELQD173 KVPQLPGFSW 183 IKPCISSASI193 VYIGLRDVDP203 PEHFILKNYD213 IQYFSMRDID223 RLGIQKVMER 233 TFDLLIGKRQ243 RPIHLSFDID253 AFDPTLAPAT263 GTPVVGGLTY273 REGMYIAEEI 283 HNTGLLSALD293 LVEVNPQLAT303 SEEEAKTTAN313 LAVDVIASSF323 GQTREG |
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| PDB ID: 4IXU Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-) | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
HSVAVIGAPF
33 SQGQKRKGVE43 HGPAAIREAG53 LMKRLSSLGC63 HLKDFGDLSF73 TPVPKDDLYN 83 NLIVNPRSVG93 LANQELAEVV103 SRAVSDGYSC113 VTLGGDHSLA123 IGTISGHARH 133 CPDLCVVWVD143 AHADINTPLT153 TSSGNLHGQP163 VSFLLRELQD173 KVPQLPGFSW 183 IKPCISSASI193 VYIGLRDVDP203 PEHFILKNYD213 IQYFSMRDID223 RLGIQKVMER 233 TFDLLIGKRQ243 RPIHLSFDID253 AFDPTLAPAT263 GTPVVGGLTY273 REGMYIAEEI 283 HNTGLLSALD293 LVEVNPQLAT303 SEEEAKTTAN313 LAVDVIASSF323 GQTREG |
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| PDB ID: 4IE2 Crystal structure of human Arginase-2 complexed with inhibitor 1h | ||||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [3] |
| PDB Sequence |
HSVAVIGAPF
33 SQGQKRKGVE43 HGPAAIREAG53 LMKRLSSLGC63 HLKDFGDLSF73 TPVPKDDLYN 83 NLIVNPRSVG93 LANQELAEVV103 SRAVSDGYSC113 VTLGGDHSLA123 IGTISGHARH 133 CPDLCVVWVD143 AHADINTPLT153 TSSGNLHGQP163 VSFLLRELQD173 KVPQLPGFSW 183 IKPCISSASI193 VYIGLRDVDP203 PEHFILKNYD213 IQYFSMRDID223 RLGIQKVMER 233 TFDLLIGKRQ243 RPIHLSFDID253 AFDPTLAPAT263 GTPVVGGLTY273 REGMYIAEEI 283 HNTGLLSALD293 LVEVNPQLAT303 SEEEAKTTAN313 LAVDVIASSF323 GQTREG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEN or .BEN2 or .BEN3 or :3BEN;style chemicals stick;color identity;select .A:83 or .A:84 or .A:85; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6Q37 Complex of Arginase 2 with Example 23 | ||||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [4] |
| PDB Sequence |
HSVAVIGAPF
33 SQGQKRKGVE43 HGPAAIREAG53 LMKRLSSLGC63 HLKDFGDLSF73 TPVPKDDLYN 83 NLIVNPRSVG93 LANQELAEVV103 SRAVSDGYSC113 VTLGGDHSLA123 IGTISGHARH 133 CPDLCVVWVD143 AHADINTPLT153 TSSGNLHGQP163 VSFLLRELQD173 KVPQLPGFSW 183 IKPCISSASI193 VYIGLRDVDP203 PEHFILKNYD213 IQYFSMRDID223 RLGIQKVMER 233 TFDLLIGKRQ243 RPIHLSFDID253 AFDPTLAPAT263 GTPVVGGLTY273 REGMYIAEEI 283 HNTGLLSALD293 LVEVNPQLAT303 SEEEAKTTAN313 LAVDVIASSF323 GQTREG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEN or .BEN2 or .BEN3 or :3BEN;style chemicals stick;color identity;select .A:83 or .A:84 or .A:85; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6Q39 Complex of Arginase 2 with Example 49 | ||||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [4] |
| PDB Sequence |
HSVAVIGAPF
33 SQGQKRKGVE43 HGPAAIREAG53 LMKRLSSLGC63 HLKDFGDLSF73 TPVPKDDLYN 83 NLIVNPRSVG93 LANQELAEVV103 SRAVSDGYSC113 VTLGGDHSLA123 IGTISGHARH 133 CPDLCVVWVD143 AHADINTPLT153 TSSGNLHGQP163 VSFLLRELQD173 KVPQLPGFSW 183 IKPCISSASI193 VYIGLRDVDP203 PEHFILKNYD213 IQYFSMRDID223 RLGIQKVMER 233 TFDLLIGKRQ243 RPIHLSFDID253 AFDPTLAPAT263 GTPVVGGLTY273 REGMYIAEEI 283 HNTGLLSALD293 LVEVNPQLAT303 SEEEAKTTAN313 LAVDVIASSF323 GQTREG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEN or .BEN2 or .BEN3 or :3BEN;style chemicals stick;color identity;select .A:83 or .A:84 or .A:85; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4IXV Crystal structure of human Arginase-2 complexed with inhibitor 2d: {(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-) | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
HSVAVIGAPF
33 SQGQKRKGVE43 HGPAAIREAG53 LMKRLSSLGC63 HLKDFGDLSF73 TPVPKDDLYN 83 NLIVNPRSVG93 LANQELAEVV103 SRAVSDGYSC113 VTLGGDHSLA123 IGTISGHARH 133 CPDLCVVWVD143 AHADINTPLT153 TSSGNLHGQP163 VSFLLRELQD173 KVPQLPGFSW 183 IKPCISSASI193 VYIGLRDVDP203 PEHFILKNYD213 IQYFSMRDID223 RLGIQKVMER 233 TFDLLIGKRQ243 RPIHLSFDID253 AFDPTLAPAT263 GTPVVGGLTY273 REGMYIAEEI 283 HNTGLLSALD293 LVEVNPQLAT303 SEEEAKTTAN313 LAVDVIASSF323 GQTREG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEN or .BEN2 or .BEN3 or :3BEN;style chemicals stick;color identity;select .A:83 or .A:84 or .A:85; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4IE3 Crystal structure of human Arginase-2 complexed with inhbitor 1o | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [3] |
| PDB Sequence |
HSVAVIGAPF
33 SQGQKRKGVE43 HGPAAIREAG53 LMKRLSSLGC63 HLKDFGDLSF73 TPVPKDDLYN 83 NLIVNPRSVG93 LANQELAEVV103 SRAVSDGYSC113 VTLGGDHSLA123 IGTISGHARH 133 CPDLCVVWVD143 AHADINTPLT153 TSSGNLHGQP163 VSFLLRELQD173 KVPQLPGFSW 183 IKPCISSASI193 VYIGLRDVDP203 PEHFILKNYD213 IQYFSMRDID223 RLGIQKVMER 233 TFDLLIGKRQ243 RPIHLSFDID253 AFDPTLAPAT263 GTPVVGGLTY273 REGMYIAEEI 283 HNTGLLSALD293 LVEVNPQLAT303 SEEEAKTTAN313 LAVDVIASSF323 GQTREG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEN or .BEN2 or .BEN3 or :3BEN;style chemicals stick;color identity;select .A:83 or .A:84 or .A:85; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of (R)-2-amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic acid and congeners as highly potent inhibitors of human arginases I and II for treatment of myocardial reperfusion injury. J Med Chem. 2013 Mar 28;56(6):2568-80. | ||||
| REF 2 | Synthesis of quaternary Alpha-amino acid-based arginase inhibitors via the Ugi reaction. Bioorg Med Chem Lett. 2013 Sep 1;23(17):4837-41. | ||||
| REF 3 | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors. Bioorg Med Chem Lett. 2013 Apr 1;23(7):2027-30. | ||||
| REF 4 | Discovery of N-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II. J Med Chem. 2019 Sep 12;62(17):8164-8177. | ||||
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