Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid. Determined by X-ray diffraction at 1.7 Å resolution. Released 17 Apr 2019.
Explore 6RAV in 3D Show helices and sheets RCSB PDB PDBe
6RAV contains 34 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 | 111-112 | 2 | |
| α-helix | 120-121 | 2 | |
| β-strand | 122 | 1 | 2 |
| 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 |
| 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 | 192-194 | 3 | |
| α-helix | 197 | 1 | |
| β-strand | 198-203 | 6 | 5 |
| β-strand | 206-216 | 11 | 5 |
| α-helix | 221-223 | 3 | |
| β-strand | 225-230 | 6 | 5 |
| α-helix | 231-234 | 4 | |
| 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) |
>6RAV_1 Complement factor B (chains AAA, BBB) SLSLCGMVWEHRKGTDYHKQPWQAKISVIRPSKGHESCMGAVVSEYFVLTAAHCFTVDDK EHSIKVSVGGEKRDLEIEVVLFHPNYNINGKKEAGIPEFYDYDVALIKLKNKLKYGQTIR PICLPCTEGTTRALRLPPTTTCQQQKEELLPAQDIKALFVSEEEKKLTRKEVYIKNGDKK GSCERDAQYAPGYDKVKDISEVVTPRFLCTGGVSPYADPNTCRGDSGGPLIVHKRSRFIQ VGVISWGVVDVCKNQKRQKQVPAHARDFHINLFQVLPWLKEKLQDEDLGFL
| ID | Name | Formula | Copies |
|---|---|---|---|
| ZN | Zinc ion | Zn | 2 |
| JGQ | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperi… | C25 H30 N2 O4 | 2 |
Water and common crystallization additives (SO4) are not listed.
Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Schubart, A., Anderson, K., Mainolfi, N. et al. Proc Natl Acad Sci U S A (2019) 116:7926-7931. DOI 10.1073/pnas.1820892116 · 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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