Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T37541 | Target Info | |||
| Target Name | Carbonic anhydrase VII (CA-VII) | ||||
| Synonyms | Carbonic anhydrase 7; Carbonate dehydratase VII | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | CA7 | ||||
| Biochemical Class | Alpha-carbonic anhydrase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Acetazolamide | Ligand Info | |||||
| Structure Description | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide | PDB:3ML5 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [1] |
| PDB Sequence |
GHHGWGYGQD
10 DGPSHWHKLY20 PIAQGDRQSP30 INIISSQAVY40 SPSLQPLELS50 YEACMSLSIT 60 NNGHSVQVDF70 NDSDDRTVVT80 GGPLEGPYRL90 KQFHFHWGKK100 HDVGSEHTVD 110 GKSFPSELHL120 VHWNAKKYST130 FGEAASAPDG140 LAVVGVFLET150 GDEHPSMNRL 160 TDALYMVRFK170 GTKAQFSCFN180 PKSLLPASRH190 YWTYPGSLTT200 PPLSESVTWI 210 VLREPISISE220 RQMGKFRSLL230 FTSEDDERIH240 MVNNFRPPQP250 LKGRVVKASF 260 RA
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| Ligand Name: Ethoxzolamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 | PDB:3MDZ | ||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [2] |
| PDB Sequence |
MHGWGYGQDD
13 GPSHWHKLYP23 IAQGDRQSPI33 NIISSQAVYS43 PSLQPLELSY53 EACMSLSITN 63 NGHSVQVDFN73 DSDDRTVVTG83 GPLEGPYRLK93 QFHFHWGKKH103 DVGSEHTVDG 113 KSFPSELHLV123 HWNAKKYSTF133 GEAASAPDGL143 AVVGVFLETG153 DEHPSMNRLT 163 DALYMVRFKG173 TKAQFSCFNP183 KCLLPASRHY193 WTYPGSLTTP203 PLSESVTWIV 213 LREPICISER223 QMGKFRSLLF233 TSEDDERIHM243 VNNFRPPQPL253 KGRVVKASF |
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| Ligand Name: 4-[2-[4-[(4-Methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase VII Sultam Based Inhibitors | PDB:7P1A | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | Yes | [3] |
| PDB Sequence |
WGYGQDDGPS
14 HWHKLYPIAQ24 GDRQSPINII34 SSQAVYSPSL44 QPLELSYEAC54 MSLSITNNGH 64 SVQVDFNDSD74 DRTVVTGGPL84 EGPYRLKQFH94 FHWGKKHDVG104 SEHTVDGKSF 114 PSELHLVHWN124 AKKYSTFGEA134 ASAPDGLAVV144 GVFLETGDEH154 PSMNRLTDAL 164 YMVRFKGTKA174 QFSCFNPKSL184 LPASRHYWTY194 PGSLTTPPLS204 ESVTWIVLRE 214 PISISERQMG224 KFRSLLFTSE234 DDERIHMVNN244 FRPPQPLKGR254 VVKASFRA |
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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 .4IQ or .4IQ2 or .4IQ3 or :34IQ;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.776
ASN62
3.880
HIS64
3.471
GLN92
3.683
HIS94
3.244
HIS96
3.342
GLU106
4.057
HIS119
3.390
VAL121
3.793
PHE131
3.174
GLY132
3.822
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| Ligand Name: 4-[4-(2-Chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase VII (hCA VII) in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative. | PDB:7NC4 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [4] |
| PDB Sequence |
GWGYGQDDGP
13 SHWHKLYPIA23 QGDRQSPINI33 ISSQAVYSPS43 LQPLELSYEA53 CMSLSITNNG 63 HSVQVDFNDS73 DDRTVVTGGP83 LEGPYRLKQF93 HFHWGKKHDV103 GSEHTVDGKS 113 FPSELHLVHW123 NAKKYSTFGE133 AASAPDGLAV143 VGVFLETGDE153 HPSMNRLTDA 163 LYMVRFKGTK173 AQFSCFNPKS183 LLPASRHYWT193 YPGSLTTPPL203 SESVTWIVLR 213 EPISISERQM223 GKFRSLLFTS233 EDDERIHMVN243 NFRPPQPLKG253 RVVKASFRA |
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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 .U7Z or .U7Z2 or .U7Z3 or :3U7Z;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | PDB:6H38 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [5] |
| PDB Sequence |
GWGYGQDDGP
13 SHWHKLYPIA23 QGDRQSPINI33 ISSQAVYSPS43 LQPLELSYEA53 CMSLSITNNG 63 HSVQVDFNDS73 DDRTVVTGGP83 LEGPYRLKQF93 HFHWGKKHDV103 GSEHTVDGKS 113 FPSELHLVHW123 NAKKYSTFGE133 AASAPDGLAV143 VGVFLETGDE153 HPSMNRLTDA 163 LYMVRFKGTK173 AQFSCFNPKS183 LLPASRHYWT193 YPGSLTTPPL203 SESVTWIVLR 213 EPISISERQM223 GKFRSLLFTS233 EDDERIHMVN243 NFRPPQPLKG253 RVVKASFRA |
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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 .FKK or .FKK2 or .FKK3 or :3FKK;style chemicals stick;color identity;select .A:5 or .A:20 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | PDB:6H36 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [5] |
| PDB Sequence |
GWGYGQDDGP
13 SHWHKLYPIA23 QGDRQSPINI33 ISSQAVYSPS43 LQPLELSYEA53 CMSLSITNNG 63 HSVQVDFNDS73 DDRTVVTGGP83 LEGPYRLKQF93 HFHWGKKHDV103 GSEHTVDGKS 113 FPSELHLVHW123 NAKKYSTFGE133 AASAPDGLAV143 VGVFLETGDE153 HPSMNRLTDA 163 LYMVRFKGTK173 AQFSCFNPKS183 LLPASRHYWT193 YPGSLTTPPL203 SESVTWIVLR 213 EPISISERQM223 GKFRSLLFTS233 EDDERIHMVN243 NFRPPQPLKG253 RVVKASFRA |
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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 .FKE or .FKE2 or .FKE3 or :3FKE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(4-Oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide | PDB:6H37 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [5] |
| PDB Sequence |
WGYGQDDGPS
14 HWHKLYPIAQ24 GDRQSPINII34 SSQAVYSPSL44 QPLELSYEAC54 MSLSITNNGH 64 SVQVDFNDSD74 DRTVVTGGPL84 EGPYRLKQFH94 FHWGKKHDVG104 SEHTVDGKSF 114 PSELHLVHWN124 AKKYSTFGEA134 ASAPDGLAVV144 GVFLETGDEH154 PSMNRLTDAL 164 YMVRFKGTKA174 QFSCFNPKSL184 LPASRHYWTY194 PGSLTTPPLS204 ESVTWIVLRE 214 PISISERQMG224 KFRSLLFTSE234 DDERIHMVNN244 FRPPQPLKGR254 VVKASFRA |
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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 .FKQ or .FKQ2 or .FKQ3 or :3FKQ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phenyl-(4-sulfamoylphenoxy)phosphinic acid | Ligand Info | |||||
| Structure Description | HUMAN CARBONIC ANHYDRASE VII IN COMPLEX WITH A SULFONAMIDE INHIBITOR | PDB:6SDT | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | Yes | [6] |
| PDB Sequence |
GWGYGQDDGP
13 SHWHKLYPIA23 QGDRQSPINI33 ISSQAVYSPS43 LQPLELSYEA53 CMSLSITNNG 63 HSVQVDFNDS73 DDRTVVTGGP83 LEGPYRLKQF93 HFHWGKKHDV103 GSEHTVDGKS 113 FPSELHLVHW123 NAKKYSTFGE133 AASAPDGLAV143 VGVFLETGDE153 HPSMNRLTDA 163 LYMVRFKGTK173 AQFSCFNPKS183 LLPASRHYWT193 YPGSLTTPPL203 SESVTWIVLR 213 EPISISERQM223 GKFRSLLFTS233 EDDERIHMVN243 NFRPPQPLKG253 RVVKASFRA |
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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 .L8N or .L8N2 or .L8N3 or :3L8N;style chemicals stick;color identity;select .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide | Ligand Info | |||||
| Structure Description | The crystal structure of the complex of hCAVII with 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide | PDB:6ZR9 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [7] |
| PDB Sequence |
WGYGQDDGPS
14 HWHKLYPIAQ24 GDRQSPINII34 SSQAVYSPSL44 QPLELSYEAC54 MSLSITNNGH 64 SVQVDFNDSD74 DRTVVTGGPL84 EGPYRLKQFH94 FHWGKKHDVG104 SEHTVDGKSF 114 PSELHLVHWN124 AKKYSTFGEA134 ASAPDGLAVV144 GVFLETGDEH154 PSMNRLTDAL 164 YMVRFKGTKA174 QFSCFNPKSL184 LPASRHYWTY194 PGSLTTPPLS204 ESVTWIVLRE 214 PISISERQMG224 KFRSLLFTSE234 DDERIHMVNN244 FRPPQPLKGR254 VVKASFRA |
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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 .QOZ or .QOZ2 or .QOZ3 or :3QOZ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5023-6. | ||||
| REF 2 | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 | ||||
| REF 3 | Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain. Eur J Med Chem. 2022 Jan 5;227:113956. | ||||
| REF 4 | Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII. Bioorg Med Chem. 2021 Aug 15;44:116279. | ||||
| REF 5 | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem. 2019 Feb 1;163:443-452. | ||||
| REF 6 | Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. J Med Chem. 2020 May 28;63(10):5185-5200. | ||||
| REF 7 | The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development. doi:10.1039/D0NJ03544K. | ||||
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