2024-02-03_00000244
|
ligand
|
8U7E
Structure of Sts-1 HP domain with rebamipide derivative;
X-ray diffraction 2.63Å
Protein #1
287 residues (90% resolved)
Raw Sequence ...
QGHMASMTGGQQMGRGSGPQKRCLFVCRHGERMDVVFGKYWLSQCFDAKGRYIRTNLNMPHSLPQRSGGFRDYEKDAPITVFGCMQARLVGEALLESNTIIDHVYCSPSLRCVQTAHNILKGLQQENHLKIRVEPGLFEWTKWVAGSTLPAWIPPSELAAANLSVDTTYRPHIPISKLVVSESYDTYISRSFQVTKEIISECKSKGNNILIVAHASSLEACTCQLQGLSPQNSKDFVQMVRKIPYLGFCSCEELGETGIWQLTDPPILPLTHGPTGGFNWRETLLQE
Canonical Sequence ...
QGHMASMTGGQQMGRGSGPQKRCLFVCRHGERMDVVFGKYWLSQCFDAKGRYIRTNLNMPHSLPQRSGGFRDYEKDAPITVFGCMQARLVGEALLESNTIIDHVYCSPSLRCVQTAHNILKGLQQENHLKIRVEPGLFEWTKWVAGSTLPAWIPPSELAAANLSVDTTYRPHIPISKLVVSESYDTYISRSFQVTKEIISECKSKGNNILIVAHASSLEACTCQLQGLSPQNSKDFVQMVRKIPYLGFCSCEELGETGIWQLTDPPILPLTHGPTGGFNWRETLLQE
Non polymer #2
VXE
InChI=1S/C21H20N2O4/c1-2-13-7-9-14(10-8-13)20(25)23-18(21(26)27)11-15-12-19(24)22-17-6-4-3-5-16(15)17/h3-10,12,18H,2,11H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t18-/m0/s1
InChI=1S/C21H20N2O4/c1-2-13-7-9-14(10-8-13)20(25)23-18(21(26)27)11-15-12-19(24)22-17-6-4-3-5-16(15)17/h3-10,12,18H,2,11H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t18-/m0/s1
SMILES: CCc1ccc(cc1)C(=O)N[C@@H](CC2=CC(=O)Nc3c2cccc3)C(=O)O
CCc1ccc(cc1)C(=O)N[C@@H](CC2=CC(=O)Nc3c2cccc3)C(=O)O
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
Biounit #3
homo-dimer
Download coordinates
Tube
Model
Reference
100%