Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole. Determined by X-ray diffraction at 2.29 Å resolution. Released 4 Mar 2020.
Explore 6T8V in 3D Show helices and sheets RCSB PDB PDBe
6T8V contains 36 α-helices and 30 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 23-25 | 3 | |
| β-strand | 30-36C | 10 | 1 |
| β-strand | 39-48 | 10 | 1 |
| β-strand | 51-54 | 4 | 1 |
| α-helix | 56-58 | 3 | |
| α-helix | 62B-62D | 3 | |
| β-strand | 64-68 | 5 | 1 |
| α-helix | 81-84 | 4 | |
| β-strand | 85-90 | 6 | 1 |
| α-helix | 97C-97E | 3 | |
| β-strand | 104-108 | 5 | 1 |
| α-helix | 111-114 | 4 | |
| α-helix | 120-121 | 2 | |
| β-strand | 122 | 1 | 2 |
| α-helix | 123 | 1 | |
| β-strand | 125A | 1 | 3 |
| α-helix | 125B-125G | 6 | |
| α-helix | 125P-128 | 8 | |
| β-strand | 133-142 | 10 | 2 |
| β-strand | 154-163 | 10 | 2 |
| α-helix | 165-170 | 6 | |
| α-helix | 171-172B | 4 | |
| α-helix | 172L-174 | 3 | |
| β-strand | 180-184 | 5 | 2 |
| α-helix | 192-194 | 3 | |
| α-helix | 197 | 1 | |
| β-strand | 198-203 | 6 | 2 |
| β-strand | 206-216 | 11 | 2 |
| α-helix | 220C-220H | 6 | |
| α-helix | 221-223 | 3 | |
| β-strand | 225-230 | 6 | 2 |
| α-helix | 231-233 | 3 | |
| α-helix | 235-241 | 7 | |
| β-strand | 249 | 1 | 3 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 30-36C | 10 | 4 |
| β-strand | 39-48 | 10 | 4 |
| β-strand | 51-54 | 4 | 4 |
| α-helix | 56-58 | 3 | |
| α-helix | 62B-62D | 3 | |
| β-strand | 64-68 | 5 | 4 |
| α-helix | 82-84 | 3 | |
| β-strand | 85-90 | 6 | 4 |
| α-helix | 97C-97E | 3 | |
| β-strand | 104-108 | 5 | 4 |
| α-helix | 111-112 | 2 | |
| α-helix | 120-121 | 2 | |
| β-strand | 122 | 1 | 5 |
| α-helix | 123 | 1 | |
| β-strand | 125A | 1 | 6 |
| α-helix | 125B-125G | 6 | |
| α-helix | 125P-128 | 8 | |
| β-strand | 133-142 | 10 | 5 |
| β-strand | 154-163 | 10 | 5 |
| α-helix | 165-170 | 6 | |
| α-helix | 171-172B | 4 | |
| α-helix | 172L-174 | 3 | |
| β-strand | 180-184 | 5 | 5 |
| α-helix | 186D-188 | 3 | |
| α-helix | 192-194 | 3 | |
| α-helix | 197 | 1 | |
| β-strand | 198-203 | 6 | 5 |
| β-strand | 206-216 | 11 | 5 |
| β-strand | 225-230 | 6 | 5 |
| α-helix | 231-233 | 3 | |
| α-helix | 235-241 | 7 | |
| β-strand | 249 | 1 | 6 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Complement factor B | AAA, BBB | protein | 291 | Homo sapiens | P00751 (AlphaFold model) |
>6T8V_1 Complement factor B (chains AAA, BBB) SLSLCGMVWEHRKGTDYHKQPWQAKISVIRPSKGHESCMGAVVSEYFVLTAAHCFTVDDK EHSIKVSVGGEKRDLEIEVVLFHPNYNINGKKEAGIPEFYDYDVALIKLKNKLKYGQTIR PICLPCTEGTTRALRLPPTTTCQQQKEELLPAQDIKALFVSEEEKKLTRKEVYIKNGDKK GSCERDAQYAPGYDKVKDISEVVTPRFLCTGGVSPYADPNTCRGDSGGPLIVHKRSRFIQ VGVISWGVVDVCKNQKRQKQVPAHARDFHINLFQVLPWLKEKLQDEDLGFL
| ID | Name | Formula | Copies |
|---|---|---|---|
| ZN | Zinc ion | Zn | 2 |
| MVK | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid | C23 H26 N2 O2 | 2 |
Water and common crystallization additives (SO4) are not listed.
Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. Mainolfi, N., Ehara, T., Karki, R.G. et al. J Med Chem (2020) 63:5697-5722. DOI 10.1021/acs.jmedchem.9b01870 · PubMed
Other PDB entries of the same protein (UniProt P00751 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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