Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T83875 | Target Info | |||
| Target Name | Monoamine oxidase type A (MAO-A) | ||||
| Synonyms | Monoamine oxidase A; Amine oxidase [flavin-containing] A | ||||
| Target Type | Successful Target | ||||
| Gene Name | MAOA | ||||
| Biochemical Class | CH-NH(2) donor oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Clorgyline | Ligand Info | |||||
| Structure Description | Human Monoamine Oxidase A in complex with Clorgyline, Crystal Form A | PDB:2BXR | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
HMFDVVVIGG
21 GISGLSAAKL31 LTEYGVSVLV41 LEARDRVGGR51 TYTIRNEHVD61 YVDVGGAYVG 71 PTQNRILRLS81 KELGIETYKV91 NVSERLVQYV101 KGKTYPFRGW116 NPIAYLDYNN 126 LWRTIDNMGK136 EIPTDAPWEA146 QHADKWDKMT156 MKELIDKICW166 TKTARRFAYL 176 FVNINVTSEP186 HEVSALWFLW196 YVKQCGGTTR206 IFSVGQERKF219 VGGSGQVSER 229 IMDLLGDQVK239 LNHPVTHVDQ249 SSDNIIIETL259 NHEHYECKYV269 INAIPPTLTA 279 KIHFRPELPA289 ERNQLIQRLP299 MGAVIKCMMY309 YKEAFWKKKD319 YCGCMIIEDE 329 DAPISITLDD339 TKPDGSLPAI349 MGFILARKAD359 RLAKLHKEIR369 KKKICELYAK 379 VLGSQEALHP389 VHYEEKNWCE399 EQYSGGCYTA409 YFPPGIMTQY419 GRVIRQPVGR 429 IFFAGTETAT439 KWSGYMEGAV449 EAGERAAREV459 LNGLG
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Decyl(dimethyl)phosphine oxide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Monoamine Oxidase A (G110A) with Harmine | PDB:2Z5Y | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [2] |
| PDB Sequence |
HMFDVVVIGG
21 GISGLSAAKL31 LTEYGVSVLV41 LEARDRVGGR51 TYTIRNEHVD61 YVDVGGAYVG 71 PTQNRILRLS81 KELGIETYKV91 NVSERLVQYV101 KGKTYPFRAA111 FPPVWNPIAY 121 LDYNNLWRTI131 DNMGKEIPTD141 APWEAQHADK151 WDKMTMKELI161 DKICWTKTAR 171 RFAYLFVNIN181 VTSEPHEVSA191 LWFLWYVKQC201 GGTTRIFSVT211 NGGQERKFVG 221 GSGQVSERIM231 DLLGDQVKLN241 HPVTHVDQSS251 DNIIIETLNH261 EHYECKYVIN 271 AIPPTLTAKI281 HFRPELPAER291 NQLIQRLPMG301 AVIKCMMYYK311 EAFWKKKDYC 321 GCMIIEDEDA331 PISITLDDTK341 PDGSLPAIMG351 FILARKADRL361 AKLHKEIRKK 371 KICELYAKVL381 GSQEALHPVH391 YEEKNWCEEQ401 YSGGCYTAYF411 PPGIMTQYGR 421 VIRQPVGRIF431 FAGTETATKW441 SGYMEGAVEA451 GERAAREVLN461 GLGKVTEKDI 471 WVQEPESKDV481 PAVEITHTFW491 ERNLPSVSGL501 LKIIGFSTSV511 TALGFVLYKY 521 KLL
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Flavin-Adenine Dinucleotide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Monoamine Oxidase A (G110A) with Harmine | PDB:2Z5Y | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [2] |
| PDB Sequence |
HMFDVVVIGG
21 GISGLSAAKL31 LTEYGVSVLV41 LEARDRVGGR51 TYTIRNEHVD61 YVDVGGAYVG 71 PTQNRILRLS81 KELGIETYKV91 NVSERLVQYV101 KGKTYPFRAA111 FPPVWNPIAY 121 LDYNNLWRTI131 DNMGKEIPTD141 APWEAQHADK151 WDKMTMKELI161 DKICWTKTAR 171 RFAYLFVNIN181 VTSEPHEVSA191 LWFLWYVKQC201 GGTTRIFSVT211 NGGQERKFVG 221 GSGQVSERIM231 DLLGDQVKLN241 HPVTHVDQSS251 DNIIIETLNH261 EHYECKYVIN 271 AIPPTLTAKI281 HFRPELPAER291 NQLIQRLPMG301 AVIKCMMYYK311 EAFWKKKDYC 321 GCMIIEDEDA331 PISITLDDTK341 PDGSLPAIMG351 FILARKADRL361 AKLHKEIRKK 371 KICELYAKVL381 GSQEALHPVH391 YEEKNWCEEQ401 YSGGCYTAYF411 PPGIMTQYGR 421 VIRQPVGRIF431 FAGTETATKW441 SGYMEGAVEA451 GERAAREVLN461 GLGKVTEKDI 471 WVQEPESKDV481 PAVEITHTFW491 ERNLPSVSGL501 LKIIGFSTSV511 TALGFVLYKY 521 KLL
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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 .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:19 or .A:20 or .A:21 or .A:22 or .A:23 or .A:24 or .A:25 or .A:42 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:52 or .A:65 or .A:66 or .A:67 or .A:68 or .A:69 or .A:74 or .A:242 or .A:243 or .A:244 or .A:272 or .A:273 or .A:274 or .A:277 or .A:281 or .A:303 or .A:305 or .A:352 or .A:397 or .A:402 or .A:403 or .A:406 or .A:407 or .A:434 or .A:435 or .A:436 or .A:443 or .A:444 or .A:445 or .A:446 or .A:448; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE19
3.571
GLY20
3.372
GLY21
3.594
GLY22
3.323
ILE23
3.144
SER24
2.655
GLY25
4.173
LEU42
3.235
GLU43
2.596
ALA44
3.096
ARG45
2.965
ARG47
4.860
VAL48
4.938
GLY49
3.632
GLY50
3.014
ARG51
2.792
THR52
3.770
VAL65
3.633
GLY66
3.639
GLY67
3.322
ALA68
3.297
TYR69
2.961
GLN74
4.892
HIS242
3.835
PRO243
3.638
VAL244
2.932
ALA272
3.572
ILE273
3.222
PRO274
3.830
LEU277
3.651
ILE281
4.475
VAL303
3.832
LYS305
3.913
PHE352
4.234
TRP397
3.203
TYR402
3.390
SER403
4.729
CYS406
1.812
TYR407
3.365
GLY434
3.346
THR435
2.711
GLU436
4.522
GLY443
2.689
TYR444
3.325
MET445
2.711
GLU446
4.337
ALA448
3.457
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Harmine | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Monoamine Oxidase A (G110A) with Harmine | PDB:2Z5Y | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [2] |
| PDB Sequence |
HMFDVVVIGG
21 GISGLSAAKL31 LTEYGVSVLV41 LEARDRVGGR51 TYTIRNEHVD61 YVDVGGAYVG 71 PTQNRILRLS81 KELGIETYKV91 NVSERLVQYV101 KGKTYPFRAA111 FPPVWNPIAY 121 LDYNNLWRTI131 DNMGKEIPTD141 APWEAQHADK151 WDKMTMKELI161 DKICWTKTAR 171 RFAYLFVNIN181 VTSEPHEVSA191 LWFLWYVKQC201 GGTTRIFSVT211 NGGQERKFVG 221 GSGQVSERIM231 DLLGDQVKLN241 HPVTHVDQSS251 DNIIIETLNH261 EHYECKYVIN 271 AIPPTLTAKI281 HFRPELPAER291 NQLIQRLPMG301 AVIKCMMYYK311 EAFWKKKDYC 321 GCMIIEDEDA331 PISITLDDTK341 PDGSLPAIMG351 FILARKADRL361 AKLHKEIRKK 371 KICELYAKVL381 GSQEALHPVH391 YEEKNWCEEQ401 YSGGCYTAYF411 PPGIMTQYGR 421 VIRQPVGRIF431 FAGTETATKW441 SGYMEGAVEA451 GERAAREVLN461 GLGKVTEKDI 471 WVQEPESKDV481 PAVEITHTFW491 ERNLPSVSGL501 LKIIGFSTSV511 TALGFVLYKY 521 KLL
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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 .HRM or .HRM2 or .HRM3 or :3HRM;style chemicals stick;color identity;select .A:69 or .A:180 or .A:181 or .A:207 or .A:208 or .A:210 or .A:215 or .A:323 or .A:325 or .A:335 or .A:336 or .A:337 or .A:350 or .A:352 or .A:407 or .A:444; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Three-dimensional structure of human monoamine oxidase A (MAO A): relation to the structures of rat MAO A and human MAO B. Proc Natl Acad Sci U S A. 2005 Sep 6;102(36):12684-9. | ||||
| REF 2 | Structure of human monoamine oxidase A at 2.2-A resolution: the control of opening the entry for substrates/inhibitors. Proc Natl Acad Sci U S A. 2008 Apr 15;105(15):5739-44. | ||||
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