5W0I
CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | CREB-binding protein | polymer | 148 | 17630.0 | 1 | UniProt (P45481) Pfam (PF00439) In PDB | Mus musculus (Mouse) | |
2 | A | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | non-polymer | 496.6 | 1 | Chemie (9UA) | |||
3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | water | water | 18.0 | 147 | Chemie (HOH) |
Sequence modifications
A: 1082 - 1197 (UniProt: P45481)
PDB | External Database | Details |
---|---|---|
Met 1050 | - | initiating methionine |
His 1051 | - | expression tag |
His 1052 | - | expression tag |
His 1053 | - | expression tag |
His 1054 | - | expression tag |
His 1055 | - | expression tag |
His 1056 | - | expression tag |
Gly 1057 | - | expression tag |
Ser 1058 | - | expression tag |
Leu 1059 | - | expression tag |
Val 1060 | - | expression tag |
Pro 1061 | - | expression tag |
Arg 1062 | - | expression tag |
Gly 1063 | - | expression tag |
Ser 1064 | - | expression tag |
Met 1065 | - | expression tag |
Asp 1066 | - | expression tag |
Tyr 1067 | - | expression tag |
Lys 1068 | - | expression tag |
Asp 1069 | - | expression tag |
Asp 1070 | - | expression tag |
Asp 1071 | - | expression tag |
Asp 1072 | - | expression tag |
Lys 1073 | - | expression tag |
Glu 1074 | - | expression tag |
Asn 1075 | - | expression tag |
Leu 1076 | - | expression tag |
Tyr 1077 | - | expression tag |
Phe 1078 | - | expression tag |
Gln 1079 | - | expression tag |
Gly 1080 | - | expression tag |
Ser 1081 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 17630.0 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 744.9 | |
All* | Total formula weight | 18374.9 |