Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T35809 | Target Info | |||
| Target Name | Bromodomain-containing protein 1 (BRD1) | ||||
| Synonyms | Bromodomain and PHD finger-containing protein 2; BRPF2; BRL; BR140-like protein | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | BRD1 | ||||
| Biochemical Class | Bromodomain | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: OF-1 | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe | PDB:5FG6 | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [1] |
| PDB Sequence |
RLTPLTVLLR
572 SVLDQLQDKD582 PARIFAQPVS592 LKEVPDYLDH602 IKHPMDFATM612 RKRLEAQGYK 622 NLHEFEEDFD632 LIIDNCMKYN642 ARDTVFYRAA652 VRLRDQGGVV662 LRQARREVDS 672 IGLEEASG
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| Ligand Name: Cysteinesulfonic Acid | Ligand Info | |||||
| Structure Description | PWWP Domain of Human Bromodomain-Containing Protein 1 | PDB:3LYI | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
EPLKVVWAKC
937 SGYPSYPALI947 IDPKMPRVPG957 HHNGVTIPAP967 PLDVLKIGEH977 MQTKSDEKLF 987 LVLFFDNKRS997 WQWLPKSKMV1007 PLGIDETIDK1017 LKMMEGRNSS1027 IRKAVRIAFD 1037 RAMNHLSRVH1047
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| Ligand Name: N-(3-Methyl-1,2-Oxazol-5-Yl)cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10146a | PDB:5PO0 | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8S7 or .8S72 or .8S73 or :38S7;style chemicals stick;color identity;select .A:53 or .A:54 or .A:55 or .A:59 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-Amino-5-methylisoxazole | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10128a | PDB:5PNX | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .M3I or .M3I2 or .M3I3 or :3M3I;style chemicals stick;color identity;select .A:54 or .A:55 or .A:57 or .A:58 or .A:59 or .A:67 or .A:75 or .A:76 or .A:102 or .A:106 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-Bromo-1-Methyl-6-Nitroquinolin-2(1h)-One | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11081a | PDB:5POC | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8TG or .8TG2 or .8TG3 or :38TG;style chemicals stick;color identity;select .A:53 or .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11083a | PDB:5PO7 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8SV or .8SV2 or .8SV3 or :38SV;style chemicals stick;color identity;select .A:53 or .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-(4-Acetylpiperazin-1-yl)pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10966a | PDB:5POO | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8TS or .8TS2 or .8TS3 or :38TS;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N07808b | PDB:5PO8 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8SY or .8SY2 or .8SY3 or :38SY;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-{[(3r)-1-Cyclopentyl-5-Oxopyrrolidin-3-Yl]methyl}methanesulfonamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11039a | PDB:5POZ | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8UJ or .8UJ2 or .8UJ3 or :38UJ;style chemicals stick;color identity;select .A:53 or .A:54 or .A:55 or .A:59 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-[4-(Pyridin-2-yl)piperazin-1-yl]ethan-1-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10980a | PDB:5PON | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8RA or .8RA2 or .8RA3 or :38RA;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-Amino-1-Methylquinolin-2(1h)-One | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10188a and N07807b | PDB:5POE | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8T1 or .8T12 or .8T13 or :38T1;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; color #00ffc7; 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 | ||||||
| Ligand Name: N-methylquinoline-3-carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10958a | PDB:5POM | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8RM or .8RM2 or .8RM3 or :38RM;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-(4-Phenylpiperazin-1-yl)ethanone | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10908a | PDB:5POK | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8RS or .8RS2 or .8RS3 or :38RS;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-Methylthieno[2,3-B]pyridine-2-Carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11063a | PDB:5POV | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8TJ or .8TJ2 or .8TJ3 or :38TJ;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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 | ||||||
| Ligand Name: 1-[4-(Pyridin-4-yl)piperazin-1-yl]ethan-1-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10987a | PDB:5POP | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8TV or .8TV2 or .8TV3 or :38TV;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-Acetylpiperazin-2-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10982a | PDB:5POR | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .PW3 or .PW32 or .PW33 or :3PW3;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-bromophenyl)-1H-pyrazol-3-amine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10157a | PDB:5PO6 | ||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8SS or .8SS2 or .8SS3 or :38SS;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:64 or .A:67 or .A:105 or .A:106 or .A:109 or .A:110 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[2-(Phenylamino)ethyl]acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11029a | PDB:5POH | ||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8TP or .8TP2 or .8TP3 or :38TP;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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 | ||||||
| Ligand Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10971a | PDB:5POL | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8RP or .8RP2 or .8RP3 or :38RP;style chemicals stick;color identity;select .A:53 or .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(1-benzylpiperidin-4-yl)acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10941a | PDB:5POJ | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8RV or .8RV2 or .8RV3 or :38RV;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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 | ||||||
| Ligand Name: N-[(3-chlorophenyl)methyl]acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10931a | PDB:5POT | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8U4 or .8U42 or .8U43 or :38U4;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-Hydroxyoxindole | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10132a | PDB:5PO2 | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8SD or .8SD2 or .8SD3 or :38SD;style chemicals stick;color identity;select .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Ethyl (5s)-4,5,6,7-Tetrahydro-2h-Indazole-5-Carboxylate | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11075a | PDB:5POX | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8UG or .8UG2 or .8UG3 or :38UG;style chemicals stick;color identity;select .A:53 or .A:54 or .A:55 or .A:59 or .A:67 or .A:102 or .A:105 or .A:106 or .A:109 or .A:110 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-[(4-methoxyphenyl)methyl]acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10919a | PDB:5POS | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8U1 or .8U12 or .8U13 or :38U1;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(pyridin-2-ylmethyl)acetamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10894b | PDB:5POW | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8UA or .8UA2 or .8UA3 or :38UA;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with E13683b | PDB:5POB | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8TD or .8TD2 or .8TD3 or :38TD;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-[4-(Methylsulfonyl)piperazin-1-Yl]ethan-1-One | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10974a | PDB:5POQ | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8TY or .8TY2 or .8TY3 or :38TY;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:60 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; 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-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N07950b | PDB:5PO9 | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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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 .8T7 or .8T72 or .8T73 or :38T7;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:60 or .A:63 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-methylpyrimidine-2-carboxamide | Ligand Info | |||||
| Structure Description | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11016a | PDB:5POI | ||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .8RY or .8RY2 or .8RY3 or :38RY;style chemicals stick;color identity;select .A:54 or .A:55 or .A:59 or .A:64 or .A:67 or .A:106 or .A:109 or .A:110 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ethyl (5r)-4,5,6,7-Tetrahydro-1h-Indazole-5-Carboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening) | PDB:5AMF | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [4] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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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 .TWL or .TWL2 or .TWL3 or :3TWL;style chemicals stick;color identity;select .A:53 or .A:54 or .A:55 or .A:59 or .A:67 or .A:102 or .A:105 or .A:106 or .A:109 or .A:110 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Isoquinoline-3-carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of BRD1 in complex with Isoquinoline-3-carboxylic acid | PDB:4Z02 | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [5] |
| PDB Sequence |
PLKVVWAKCS
938 GYPSYPALII948 DPKMPRVPGH958 HNGVTIPAPP968 LDVLKIGEHM978 QTKSDEKLFL 988 VLFFDNKRSW998 QWLPKSKMVP1008 LGIDETIDKL1018 KMMEGRNSSI1028 RKAVRIAFDR 1038 AMNHLSRVH
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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 .4K8 or .4K82 or .4K83 or :34K8;style chemicals stick;color identity;select .A:937 or .A:940 or .A:941 or .A:943 or .A:991 or .A:993 or .A:997 or .A:999; 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 bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe | ||||
| REF 2 | Structural and histone binding ability characterizations of human PWWP domains. PLoS One. 2011;6(6):e18919. | ||||
| REF 3 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun. 2017 Apr 24;8:15123. | ||||
| REF 4 | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate | ||||
| REF 5 | Crystal structure of BRD1 incomplex with Isoquinoline-3-carboxylic acid | ||||
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