Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Benzamidine | Ligand Info | |||||
| Structure Description | Crystal structure of human Arginase-2 complexed with inhibitor 9 | PDB:4HZE | ||||
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: S-(2-boronoethyl)-L-cysteine | Ligand Info | |||||
| Structure Description | Human Arginase II: Crystal Structure and Physiological Role in Male and Female Sexual Arousal | PDB:1PQ3 | ||||
| Method | X-ray diffraction | Resolution | 2.70 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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| Ligand Name: [(5r)-5-Amino-5-Carboxy-7-(Piperidin-1-Yl)heptyl](Trihydroxy)borate(1-) | Ligand Info | |||||
| Structure Description | Crystal structure of human Arginase-2 complexed with inhibitor 9 | PDB:4HZE | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X7A or .X7A2 or .X7A3 or :3X7A;style chemicals stick;color identity;select .A:120 or .A:143 or .A:145 or .A:147 or .A:149 or .A:154 or .A:155 or .A:156 or .A:158 or .A:160 or .A:161 or .A:200 or .A:202 or .A:205 or .A:251 or .A:253 or .A:265 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [(5r)-5-Carboxy-5-(Methylamino)-7-(Piperidin-1-Yl)heptyl](Trihydroxy)borate(1-) | Ligand Info | |||||
| Structure Description | Crystal structure of human Arginase-2 complexed with inhibitor 14 | PDB:4I06 | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X8A or .X8A2 or .X8A3 or :3X8A;style chemicals stick;color identity;select .A:120 or .A:143 or .A:145 or .A:147 or .A:149 or .A:154 or .A:155 or .A:156 or .A:158 or .A:160 or .A:161 or .A:200 or .A:202 or .A:205 or .A:251 or .A:253 or .A:265 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: {(5r)-5-Amino-5-Carboxy-5-[(3-Endo)-8-(3,4-Dichlorobenzyl)-8-Azabicyclo[3.2.1]oct-3-Yl]pentyl}(Trihydroxy)borate(1-) | Ligand Info | |||||
| Structure Description | 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-) | PDB:4IXU | ||||
| Method | X-ray diffraction | Resolution | 1.90 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 .38I or .38I2 or .38I3 or :338I;style chemicals stick;color identity;select .A:120 or .A:143 or .A:145 or .A:147 or .A:149 or .A:154 or .A:155 or .A:156 or .A:158 or .A:160 or .A:161 or .A:200 or .A:202 or .A:203 or .A:205 or .A:251 or .A:253 or .A:265 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide | Ligand Info | |||||
| Structure Description | Complex of Arginase 2 with Example 49 | PDB:6Q39 | ||||
| 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 .HDQ or .HDQ2 or .HDQ3 or :3HDQ;style chemicals stick;color identity;select .A:120 or .A:143 or .A:145 or .A:147 or .A:149 or .A:154 or .A:156 or .A:158 or .A:160 or .A:161 or .A:200 or .A:202 or .A:205 or .A:251 or .A:253 or .A:265 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide | Ligand Info | |||||
| Structure Description | Complex of Arginase 2 with Example 23 | PDB:6Q37 | ||||
| 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 .HE8 or .HE82 or .HE83 or :3HE8;style chemicals stick;color identity;select .A:120 or .A:143 or .A:145 or .A:147 or .A:149 or .A:154 or .A:156 or .A:158 or .A:160 or .A:161 or .A:202 or .A:205 or .A:251 or .A:253 or .A:265 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [(5r)-5-Amino-5-Carboxy-8-Hydroxyoctyl](Trihydroxy)borate(1-) | Ligand Info | |||||
| Structure Description | Crystal structure of human Arginase-2 complexed with inhibitor 1h | PDB:4IE2 | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [5] |
| 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 .1EC or .1EC2 or .1EC3 or :31EC;style chemicals stick;color identity;select .A:120 or .A:143 or .A:145 or .A:147 or .A:149 or .A:154 or .A:155 or .A:156 or .A:158 or .A:160 or .A:161 or .A:202 or .A:205 or .A:251 or .A:253 or .A:265 or .A:296; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: {(5r)-5-Amino-5-Carboxy-5-[1-(4-Chlorobenzyl)piperidin-4-Yl]pentyl}(Trihydroxy)borate(1-) | Ligand Info | |||||
| Structure Description | 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-) | PDB:4IXV | ||||
| Method | X-ray diffraction | Resolution | 2.30 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 .XA1 or .XA12 or .XA13 or :3XA1;style chemicals stick;color identity;select .A:120 or .A:143 or .A:145 or .A:147 or .A:149 or .A:154 or .A:155 or .A:156 or .A:158 or .A:160 or .A:161 or .A:200 or .A:202 or .A:205 or .A:251 or .A:253 or .A:265 or .A:296; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [(5r)-5-Amino-5-Carboxy-7-(4-Hydroxypiperidin-1-Yl)heptyl](Trihydroxy)borate(1-) | Ligand Info | |||||
| Structure Description | Crystal structure of human Arginase-2 complexed with inhbitor 1o | PDB:4IE3 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [5] |
| 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 .1EE or .1EE2 or .1EE3 or :31EE;style chemicals stick;color identity;select .A:120 or .A:143 or .A:145 or .A:147 or .A:149 or .A:154 or .A:155 or .A:156 or .A:158 or .A:160 or .A:161 or .A:202 or .A:205 or .A:251 or .A:253 or .A:265 or .A:296; 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 | Human arginase II: crystal structure and physiological role in male and female sexual arousal. Biochemistry. 2003 Jul 22;42(28):8445-51. | ||||
| REF 3 | 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 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. | ||||
| REF 5 | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors. Bioorg Med Chem Lett. 2013 Apr 1;23(7):2027-30. | ||||
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