UniProt P00746
Complement factor D (P00746)
Complement factor D (UniProt P00746), EC 3.4.21.46: 59 experimental structures and 1 predicted model on GenesisL1, 23 ligands bound, 37 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P00746
- Protein
- Complement factor D
- EC
- 3.4.21.46
- Experimental structures
- 59
- Predicted models
- 1
- Ligands
- 23
- Pockets
- 37 · 3 records with a druggable one
Structures
60 records of P00746 in the MolNFT archive: 59 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1BIO | Human complement factor D in complex with isatoic anhydride inhibitor | x-ray diffraction | A | — | — |
| 1BIO | Human complement factor D in complex with isatoic anhydride inhibitor | x-ray diffraction | A | — | — |
| 1DFP | Factor D inhibited by diisopropyl fluorophosphate | x-ray diffraction | A, B | — | — |
| 1DFP | Factor D inhibited by diisopropyl fluorophosphate | x-ray diffraction | A, B | — | — |
| 1DIC | Structure of 3,4-dichloroisocoumarin-inhibited factor D | x-ray diffraction | A | — | — |
| 1DIC | Structure of 3,4-dichloroisocoumarin-inhibited factor D | x-ray diffraction | A | — | — |
| 1DST | Mutant of factor D with enhanced catalytic activity | x-ray diffraction | A | — | — |
| 1DST | Mutant of factor D with enhanced catalytic activity | x-ray diffraction | A | — | — |
| 1DSU | Human factor D, complement activating enzyme | x-ray diffraction | A, B | — | — |
| 1DSU | Human factor D, complement activating enzyme | x-ray diffraction | A, B | — | — |
| 1FDP | Proenzyme of human complement factor D, recombinant profactor D | x-ray diffraction | A, B, C, D | — | — |
| 1FDP | Proenzyme of human complement factor D, recombinant profactor D | x-ray diffraction | A, B, C, D | — | — |
| 1HFD | Human complement factor D in a P21 crystal form | x-ray diffraction | A | — | — |
| 1HFD | Human complement factor D in a P21 crystal form | x-ray diffraction | A | — | — |
| 2XW9 | Crystal Structure of Complement Factor D mutant S183A | x-ray diffraction | A | — | — |
| 2XW9 | Crystal structure of complement factor D mutant S183A | x-ray diffraction | A | — | — |
| 2XWA | Crystal Structure of Complement Factor D Mutant R202A | x-ray diffraction | A, B | — | — |
| 2XWA | Crystal structure of complement factor D mutant R202A | x-ray diffraction | A, B | — | — |
| 2XWB | Crystal Structure of Complement C3b in complex with Factors B and D | x-ray diffraction | I, J | — | — |
| 2XWB | Crystal structure of complement C3B in complex with factors B and D | x-ray diffraction | I, J | — | — |
| 4CBN | Crystal structure of Complement Factor D mutant R202A after conventional refinement | x-ray diffraction | A, B | — | — |
| 4CBN | Crystal structure of complement factor D mutant R202A after conventional refinement | x-ray diffraction | A, B | — | — |
| 4CBO | Crystal structure of Complement Factor D mutant R202A after ensemble refinement | x-ray diffraction | A, B | — | — |
| 4D9R | Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D | x-ray diffraction | A, B | — | — |
| 4D9R | Inhibiting alternative pathway complement activation by targeting the exosite on factor D | x-ray diffraction | A, B | — | — |
| 5FBE | Complement factor D in complex with COMPOUND2 | x-ray diffraction | A | 5W5 | — |
| 5FBE | Complement factor D in complex with COMPOUND2 | x-ray diffraction | A | — | — |
| 5FBI | Complement factor D in complex with compound 3B | x-ray diffraction | A | — | — |
| 5FCK | Complement factor D in complex with compound 5 | x-ray diffraction | A | 5WC, SO4 | — |
| 5FCK | Complement factor D in complex with compound 5 | x-ray diffraction | A | — | — |
| 5MT0 | Complement factor D in complex with a reversible indole carboxylic acid based inhibitor | x-ray diffraction | A | QJS, SO4 | — |
| 5MT4 | Complement factor D in complex with a reversible benzoic acid based inhibitor | x-ray diffraction | A | M7O | — |
| 5NAR | Complement factor D in complex with the inhibitor (S)-pyrrolidine-1,2- dicarboxylic acid… | x-ray diffraction | A | SO4, 8RW | — |
| 5NAT | Complement factor D in complex with the inhibitor (S)-pyrrolidine-1,2- dicarboxylic acid… | x-ray diffraction | A | 8RT | — |
| 5NAW | Complement factor D in complex with the inhibitor (1R,3S,5R)-2-aza… | x-ray diffraction | A | 8RZ | — |
| 5NB6 | Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid… | x-ray diffraction | A | 8S2 | 1 (best 0.39) |
| 5NB6 | Complement factor D in complex with the inhibitor (2S,4S)-4-amino- pyrrolidine-1,2-dicarboxylic… | x-ray diffraction | A | 8S2 | — |
| 5NB7 | Complement factor D | x-ray diffraction | A | 8NQ | — |
| 5NBA | Complement factor D in complex with the inhibitor (2S,4R)-4-fluoro- pyrrolidine-1,2-dicarboxylic… | x-ray diffraction | A | 8S5 | — |
| 5TCA | Complement factor D inhibited with JH3 | x-ray diffraction | A, B, C, D, E, F, G | J55 | — |
| 5TCC | Complement factor D inhibited with JH4 | x-ray diffraction | A, B, C, D, E, F, G | J56 | — |
| 6FTY | Complement factor D complexed with compound 5 | x-ray diffraction | A | E7H | — |
| 6FTY | Complement factor D complexed with compound 5 | x-ray diffraction | A | E7H | — |
| 6FTZ | Complement factor D complexed with compound 6 | x-ray diffraction | A | E7E | — |
| 6FUG | Complement factor D in complex with the inhibitor 3-((3-((3… | x-ray diffraction | A, B, C, D, E, F | E85 | — |
| 6FUH | Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)… | x-ray diffraction | A | E88 | — |
| 6FUH | Complement factor D in complex with the inhibitor (4-((3… | x-ray diffraction | A | E88 | — |
| 6FUI | Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3… | x-ray diffraction | A | E7W | — |
| 6FUI | Complement factor D in complex with the inhibitor 3-((3-((3… | x-ray diffraction | A | E7W | — |
| 6FUJ | Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)… | x-ray diffraction | A, B, C, D, E, F | E8B | — |
| 6FUT | Complement factor D in complex with the inhibitor (S)-3'… | x-ray diffraction | A | E82 | — |
| 6QMR | Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphe… | x-ray diffraction | A, B, C, D, E, F | J6T | 16 (best 0.81) |
| 6QMR | Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1… | x-ray diffraction | A, B, C, D, E, F | J6T | — |
| 6QMT | Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxami… | x-ray diffraction | A, B | J7B | 6 (best 0.71) |
| 6QMT | Complement factor D in complex with the inhibitor 2-(2-(3'… | x-ray diffraction | A, B | J7B | — |
| 6VMJ | Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12 | x-ray diffraction | W, X, Y, Z | — | 14 (best 0.71) |
| 6VMJ | Crystal structure of human complement factor D with anti-factor D Fab 20D12 | x-ray diffraction | W, X, Y, Z | — | — |
| 6VMK | Crystal structure of human complement factor D with anti-factor D Fab 20D12 | x-ray diffraction | W, C, F, I, N, Q, T, X, a, d, g, j, m, p, s, v | SO4 | — |
| 8DEA | Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement… | x-ray diffraction | A, B, C, D | R7X | — |
| P00746 | AlphaFold monomer V2.0 prediction for complement factor D (P00746) | predicted | A | — | — |
Ligands
- SO4 · Sulfate ion · in 4 records
- 8S2 · (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy) phenyl]pyrrolidine-1,2-dicarboxamide · in 2 records
- E7H · 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide · in 2 records
- E7W · (1~{R},2~{S})-2-[[4-[[3-(aminomethyl) phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid · in 2 records
- E88 · (2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid · in 2 records
- J6T · 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid · in 2 records
- J7B · 2-[2-[[3-[3-(aminomethyl) phenyl]phenyl]carbonylamino]phenyl]ethanoic acid · in 2 records
- 5W5 · methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate · in 1 record
- 5WC · 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide · in 1 record
- 8NQ · 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl) carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide · in 1 record
- 8RT · (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide · in 1 record
- 8RW · (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide · in 1 record
- 8RZ · (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide · in 1 record
- 8S5 · (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy) phenyl]pyrrolidine-1,2-dicarboxamide · in 1 record
- E7E · ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide · in 1 record
- E82 · 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide · in 1 record
- E85 · 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3, 4-d]pyrimidin-4-yl]amino]phenol · in 1 record
- E8B · ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide · in 1 record
- J55 · 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide · in 1 record
- J56 · (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl) acetyl]-1,3-thiazolidine-2-carboxamide · in 1 record
- M7O · 2-[(phenylmethyl)carbamoylamino]benzoic acid · in 1 record
- QJS · 5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid · in 1 record
- R7X · 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide · in 1 record
Experiment against prediction
- 6FUG chain B against the predicted model P00746: TM-score 0.99, RMSD 0.40 Å
- 6VMJ chain X against the predicted model P00746: TM-score 0.99, RMSD 0.45 Å
- 6VMJ chain X against the predicted model P00746: TM-score 0.99, RMSD 0.45 Å
- 5NAT chain A against the predicted model P00746: TM-score 0.99, RMSD 0.45 Å
- 6FUJ chain B against the predicted model P00746: TM-score 0.99, RMSD 0.46 Å
- 5FBE chain A against the predicted model P00746: TM-score 0.99, RMSD 0.46 Å
- 5FBE chain A against the predicted model P00746: TM-score 0.99, RMSD 0.46 Å
- 6FUJ chain D against the predicted model P00746: TM-score 0.99, RMSD 0.46 Å
- 6FUJ chain E against the predicted model P00746: TM-score 0.99, RMSD 0.45 Å
- 5MT4 chain A against the predicted model P00746: TM-score 0.99, RMSD 0.46 Å
Elsewhere
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