Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T00973 | Target Info | |||
| Target Name | Polybromo-1 (PBRM1) | ||||
| Synonyms | hPB1; Protein polybromo-1; Polybromo-1D; PB1; BRG1-associated factor 180; BAF180 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | PBRM1 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Salicyclic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid | PDB:4Y03 | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [1] |
| PDB Sequence |
SKYMTPMQQK
629 LNEVYEAVKN639 YTDKRGRRLS649 AIFLRLPSRS659 ELPDYYLTIK669 KPMDMEKIRS 679 HMMANKYQDI689 DSMVEDFVMM699 FNNACTYNEP709 ESLIYKDALV719 LHKVLLETRR 729 DLEGD
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| Ligand Name: Luteolin | Ligand Info | |||||
| Structure Description | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one | PDB:5II2 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
SKYMTPMQQK
661 LNEVYEAVKN671 YTDKRGRRLS681 AIFLRLPSRS691 ELPDYYLTIK701 KPMDMEKIRS 711 HMMANKYQDI721 DSMVEDFVMM731 FNNACTYNEP741 ESLIYKDALV751 LHKVLLETRR 761 DLEGD
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| Ligand Name: (2e)-1-(2-Hydroxyphenyl)-3-(2,4,5,7-Tetrahydro-6h-Pyrazolo[3,4-C]pyridin-6-Yl)prop-2-En-1-One | Ligand Info | |||||
| Structure Description | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand | PDB:4Q0N | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [3] |
| PDB Sequence |
SKYMTPMQQK
629 LNEVYEAVKN639 YTDKRGRRLS649 AIFLRLPSRS659 ELPDYYLTIK669 KPMDMEKIRS 679 HMMANKYQDI689 DSMVEDFVMM699 FNNACTYNEP709 ESLIYKDALV719 LHKVLLETRR 729 DLE
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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 .2XD or .2XD2 or .2XD3 or :32XD;style chemicals stick;color identity;select .A:651 or .A:652 or .A:654 or .A:655 or .A:656 or .A:660 or .A:661 or .A:664 or .A:672 or .A:673 or .A:699 or .A:702 or .A:703 or .A:706 or .A:707 or .A:713; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-chloro-3-[(dimethylamino)methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one | Ligand Info | |||||
| Structure Description | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18 | PDB:5FH7 | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [4] |
| PDB Sequence |
SKYMTPMQQK
661 LNEVYEAVKN671 YTDKRGRRLS681 AIFLRLPSRS691 ELPDYYLTIK701 KPMDMEKIRS 711 HMMANKYQDI721 DSMVEDFVMM731 FNNACTYNEP741 ESLIYKDALV751 LHKVLLETRR 761 DLEGD
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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 .5XL or .5XL2 or .5XL3 or :35XL;style chemicals stick;color identity;select .A:683 or .A:684 or .A:685 or .A:686 or .A:687 or .A:688 or .A:693 or .A:696 or .A:704 or .A:705 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-Chloranyl-3-(2-Ethylbutyl)-4~{h}-Pyrrolo[1,2-A]quinazolin-5-One | Ligand Info | |||||
| Structure Description | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 | PDB:5FH8 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [4] |
| PDB Sequence |
SKYMTPMQQK
661 LNEVYEAVKN671 YTDKRGRRLS681 AIFLRLPSRS691 ELPDYYLTIK701 KPMDMEKIRS 711 HMMANKYQDI721 DSMVEDFVMM731 FNNACTYNEP741 ESLIYKDALV751 LHKVLLETRR 761 DL
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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 .5XK or .5XK2 or .5XK3 or :35XK;style chemicals stick;color identity;select .A:683 or .A:684 or .A:685 or .A:686 or .A:687 or .A:688 or .A:693 or .A:696 or .A:704 or .A:705 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Methyl-2-pyrrolidinone | Ligand Info | |||||
| Structure Description | Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP | PDB:3MB4 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [5] |
| PDB Sequence |
SKYMTPMQQK
629 LNEVYEAVKN639 YTDKRGRRLS649 AIFLRLPSRS659 ELPDYYLTIK669 KPMDMEKIRS 679 HMMANKYQDI689 DSMVEDFVMM699 FNNACTYNEP709 ESLIYKDALV719 LHKVLLETRR 729 DLEGD
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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 .MB3 or .MB32 or .MB33 or :3MB3;style chemicals stick;color identity;select .A:651 or .A:655 or .A:656 or .A:661 or .A:664 or .A:703 or .A:706 or .A:707 or .A:713; 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-(6-Azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol | Ligand Info | |||||
| Structure Description | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | PDB:6ZS3 | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [6] |
| PDB Sequence |
YMTPMQQKLN
663 EVYEAVKNYT673 DKRGRRLSAI683 FLRLPSRSEL693 PDYYLTIKKP703 MDMEKIRSHM 713 MANKYQDIDS723 MVEDFVMMFN733 NACTYNEPES743 LIYKDALVLH753 KVLLETRRDL 763
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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 .FX5 or .FX52 or .FX53 or :3FX5;style chemicals stick;color identity;select .A:683 or .A:684 or .A:685 or .A:686 or .A:687 or .A:688 or .A:692 or .A:693 or .A:696 or .A:704 or .A:705 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Ethylisochromeno[3,4-C]pyrazol-5(3h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | PDB:5HRV | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [2] |
| PDB Sequence |
SKYMTPMQQK
661 LNEVYEAVKN671 YTDKRGRRLS681 AIFLRLPSRS691 ELPDYYLTIK701 KPMDMEKIRS 711 HMMANKYQDI721 DSMVEDFVMM731 FNNACTYNEP741 ESLIYKDALV751 LHKVLLETRR 761 DLEGD
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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 .64C or .64C2 or .64C3 or :364C;style chemicals stick;color identity;select .A:683 or .A:684 or .A:685 or .A:686 or .A:687 or .A:688 or .A:693 or .A:696 or .A:704 or .A:705 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Butylisochromeno[3,4-C]pyrazol-5(3h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | PDB:5HRX | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [2] |
| PDB Sequence |
YMTPMQQKLN
663 EVYEAVKNYT673 DKRGRRLSAI683 FLRLPSRSEL693 PDYYLTIKKP703 MDMEKIRSHM 713 MANKYQDIDS723 MVEDFVMMFN733 NACTYNEPES743 LIYKDALVLH753 KVLLETRRDL 763
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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 .64F or .64F2 or .64F3 or :364F;style chemicals stick;color identity;select .A:683 or .A:684 or .A:685 or .A:686 or .A:687 or .A:688 or .A:693 or .A:696 or .A:704 or .A:705 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Propylisochromeno[3,4-C]pyrazol-5(3h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | PDB:5HRW | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
| PDB Sequence |
YMTPMQQKLN
663 EVYEAVKNYT673 DKRGRRLSAI683 FLRLPSRSEL693 PDYYLTIKKP703 MDMEKIRSHM 713 MANKYQDIDS723 MVEDFVMMFN733 NACTYNEPES743 LIYKDALVLH753 KVLLETRRDL 763
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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 .64E or .64E2 or .64E3 or :364E;style chemicals stick;color identity;select .A:683 or .A:684 or .A:685 or .A:686 or .A:687 or .A:688 or .A:693 or .A:696 or .A:704 or .A:705 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (E)-1-(2-hydroxyphenyl)-3-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one | Ligand Info | |||||
| Structure Description | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand | PDB:4Q0O | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [7] |
| PDB Sequence |
SKYMTPMQQK
629 LNEVYEAVKN639 YTDKRGRRLS649 AIFLRLPSRS659 ELPDYYLTIK669 KPMDMEKIRS 679 HMMANKYQDI689 DSMVEDFVMM699 FNNACTYNEP709 ESLIYKDALV719 LHKVLLETRR 729 DLEGD
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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 .2XC or .2XC2 or .2XC3 or :32XC;style chemicals stick;color identity;select .A:651 or .A:652 or .A:654 or .A:655 or .A:656 or .A:661 or .A:664 or .A:672 or .A:673 or .A:699 or .A:702 or .A:703 or .A:706 or .A:707 or .A:713; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one | Ligand Info | |||||
| Structure Description | Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand | PDB:5E7D | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [8] |
| PDB Sequence |
KYMTPMQQKL
630 NEVYEAVKNY640 TDKRGRRLSA650 IFLRLPSRSE660 LPDYYLTIKK670 PMDMEKIRSH 680 MMANKYQDID690 SMVEDFVMMF700 NNACTYNEPE710 SLIYKDALVL720 HKVLLETRRD 730 L
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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 .5KL or .5KL2 or .5KL3 or :35KL;style chemicals stick;color identity;select .A:651 or .A:652 or .A:655 or .A:664 or .A:672 or .A:673 or .A:699 or .A:702 or .A:703 or .A:706 or .A:707 or .A:713; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Sgc-smarca-brdviii | Ligand Info | |||||
| Structure Description | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | PDB:6ZS4 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [6] |
| PDB Sequence |
MTPMQQKLNE
664 VYEAVKNYTD674 KRGRRLSAIF684 LRLPSRSELP694 DYYLTIKKPM704 DMEKIRSHMM 714 ANKYQDIDSM724 VEDFVMMFNN734 ACTYNEPESL744 IYKDALVLHK754 VLLETRRDLE 764
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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 .QP8 or .QP82 or .QP83 or :3QP8;style chemicals stick;color identity;select .A:683 or .A:684 or .A:685 or .A:686 or .A:687 or .A:688 or .A:692 or .A:693 or .A:696 or .A:704 or .A:705 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One | Ligand Info | |||||
| Structure Description | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one | PDB:5II1 | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [2] |
| PDB Sequence |
SKYMTPMQQK
661 LNEVYEAVKN671 YTDKRGRRLS681 AIFLRLPSRS691 ELPDYYLTIK701 KPMDMEKIRS 711 HMMANKYQDI721 DSMVEDFVMM731 FNNACTYNEP741 ESLIYKDALV751 LHKVLLETRR 761 DL
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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 .6BL or .6BL2 or .6BL3 or :36BL;style chemicals stick;color identity;select .A:683 or .A:684 or .A:685 or .A:686 or .A:687 or .A:688 or .A:693 or .A:696 or .A:704 or .A:705 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745; 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~{r})-3-(Piperidin-1-Ylmethyl)-2,3-Dihydro-1~{h}-Pyrrolo[1,2-A]quinazolin-5-One | Ligand Info | |||||
| Structure Description | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 | PDB:5FH6 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
KYMTPMQQKL
662 NEVYEAVKNY672 TDKRGRRLSA682 IFLRLPSRSE692 LPDYYLTIKK702 PMDMEKIRSH 712 MMANKYQDID722 SMVEDFVMMF732 NNACTYNEPE742 SLIYKDALVL752 HKVLLETRRD 762 L
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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 .5XM or .5XM2 or .5XM3 or :35XM;style chemicals stick;color identity;select .A:683 or .A:684 or .A:685 or .A:686 or .A:687 or .A:688 or .A:693 or .A:696 or .A:704 or .A:705 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5,3',4'-Trihydroxyflavone | Ligand Info | |||||
| Structure Description | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one | PDB:5IID | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [2] |
| PDB Sequence |
SKYMTPMQQK
661 LNEVYEAVKN671 YTDKRGRRLS681 AIFLRLPSRS691 ELPDYYLTIK701 KPMDMEKIRS 711 HMMANKYQDI721 DSMVEDFVMM731 FNNACTYNEP741 ESLIYKDALV751 LHKVLLETRR 761 DLEGD
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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 .6BK or .6BK2 or .6BK3 or :36BK;style chemicals stick;color identity;select .A:683 or .A:684 or .A:686 or .A:687 or .A:688 or .A:693 or .A:696 or .A:704 or .A:705 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[3-Azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol | Ligand Info | |||||
| Structure Description | Protein polybromo-1 (PB1 BD2) Bound To DP28 | PDB:6ZNV | ||||
| Method | X-ray diffraction | Resolution | 1.14 Å | Mutation | No | [6] |
| PDB Sequence |
MSPAYLKEIL
186 EQLLEAIVVA196 TNPSGRLISE206 LFQKLPSKVQ216 YPDYYAIIKE226 PIDLKTIAQR 236 IQNGSYKSIH246 AMAKDIDLLA256 KNAKTYNEPG266 SQVFKDANSI276 KKIFYMKKAE 286 IEHHE
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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 .QMW or .QMW2 or .QMW3 or :3QMW;style chemicals stick;color identity;select .A:207 or .A:208 or .A:209 or .A:210 or .A:211 or .A:212 or .A:217 or .A:220 or .A:228 or .A:229 or .A:255 or .A:258 or .A:259 or .A:262 or .A:263 or .A:269; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol | Ligand Info | |||||
| Structure Description | Protein polybromo-1 (PB1 BD2) Bound To MW278 | PDB:6ZN6 | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [6] |
| PDB Sequence |
MSPAYLKEIL
186 EQLLEAIVVA196 TNPSGRLISE206 LFQKLPSKVQ216 YPDYYAIIKE226 PIDLKTIAQR 236 IQNGSYKSIH246 AMAKDIDLLA256 KNAKTYNEPG266 SQVFKDANSI276 KKIFYMKKAE 286 IEH
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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 .QMT or .QMT2 or .QMT3 or :3QMT;style chemicals stick;color identity;select .A:207 or .A:208 or .A:209 or .A:210 or .A:211 or .A:212 or .A:217 or .A:220 or .A:228 or .A:229 or .A:255 or .A:258 or .A:259 or .A:262 or .A:263 or .A:269; 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 | Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid | ||||
| REF 2 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J Med Chem. 2016 Oct 13;59(19):8787-8803. | ||||
| REF 3 | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand | ||||
| REF 4 | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex. J Med Chem. 2016 May 26;59(10):5095-101. | ||||
| REF 5 | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell. 2012 Mar 30;149(1):214-31. | ||||
| REF 6 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J Med Chem. 2020 Dec 10;63(23):14680-14699. | ||||
| REF 7 | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand | ||||
| REF 8 | Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand | ||||
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