UniProt P03951
Coagulation factor XI (P03951)
Coagulation factor XI (UniProt P03951), EC 3.4.21.27: 216 experimental structures and 1 predicted model on GenesisL1, 66 ligands bound, 142 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P03951
- Protein
- Coagulation factor XI
- EC
- 3.4.21.27
- Experimental structures
- 216
- Predicted models
- 1
- Ligands
- 66
- Pockets
- 142 · 12 records with a druggable one
Structures
217 records of P03951 in the MolNFT archive: 216 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1XX9 | Crystal Structure of the FXIa Catalytic Domain in Complex with EcotinM84R | x-ray diffraction | A, B | — | — |
| 1XX9 | Crystal structure of the fxia catalytic domain in complex with ECOTINM84R | x-ray diffraction | A, B | — | — |
| 1XXD | Crystal Structure of the FXIa Catalytic Domain in Complex with mutated Ecotin | x-ray diffraction | A, B | — | — |
| 1XXD | Crystal structure of the fxia catalytic domain in complex with mutated ecotin | x-ray diffraction | A, B | — | — |
| 1XXF | Crystal Structure of the FXIa Catalytic Domain in Complex with Ecotin Mutant (EcotinP) | x-ray diffraction | A, B | — | — |
| 1XXF | Crystal structure of the fxia catalytic domain in complex with ecotin mutant (ecotinp) | x-ray diffraction | A, B | — | — |
| 1ZHM | Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Benzamidine… | x-ray diffraction | A | — | — |
| 1ZHM | Crystal structure of the catalytic domain of the coagulation factor xia in complex with benzamidine… | x-ray diffraction | A | — | — |
| 1ZHP | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine… | x-ray diffraction | A | — | — |
| 1ZHP | Crystal structure of the catalytic domain of coagulation factor XI in complex with benzamidine… | x-ray diffraction | A | — | — |
| 1ZHR | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine… | x-ray diffraction | A | — | — |
| 1ZHR | Crystal structure of the catalytic domain of coagulation factor XI in complex with benzamidine… | x-ray diffraction | A | — | — |
| 1ZJD | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Kunitz Protease… | x-ray diffraction | A | — | — |
| 1ZJD | Crystal structure of the catalytic domain of coagulation factor XI in complex with kunitz protease… | x-ray diffraction | A | — | — |
| 1ZLR | Factor XI catalytic domain complexed with 2-guanidino-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2… | x-ray diffraction | A | — | — |
| 1ZLR | Factor XI catalytic domain complexed with 2-guanidino-1-(4-(4,4,5,5… | x-ray diffraction | A | — | — |
| 1ZMJ | Crystal Structure of the Catalytic Domain of Factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZMJ | Crystal structure of the catalytic domain of factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZML | Crystal Structure of the Catalytic Domain of Factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZML | Crystal structure of the catalytic domain of factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZMN | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with… | x-ray diffraction | A | — | — |
| 1ZMN | Crystal structure of the catalytic domain of coagulation factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZOM | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with a peptidomimetic… | x-ray diffraction | A | — | — |
| 1ZOM | Crystal structure of the catalytic domain of coagulation factor XI in complex with a peptidomimetic… | x-ray diffraction | A | — | — |
| 1ZPB | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with… | x-ray diffraction | A | — | — |
| 1ZPB | Crystal structure of the catalytic domain of coagulation factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZPC | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with… | x-ray diffraction | A | — | — |
| 1ZPC | Crystal structure of the catalytic domain of coagulation factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZPZ | Factor XI catalytic domain complexed with N-((R)-1-(4-bromophenyl)ethyl)urea-Asn-Val-Arg-alpha-ketot… | x-ray diffraction | A | — | — |
| 1ZPZ | Factor XI catalytic domain complexed with N-((R)-1-(4-bromophenyl)… | x-ray diffraction | A | — | — |
| 1ZRK | Factor XI complexed with 3-hydroxypropyl 3-(7-amidinonaphthalene-1-carboxamido)benzenesulfonate | x-ray diffraction | A | — | — |
| 1ZRK | Factor XI complexed with 3-hydroxypropyl 3-(7-amidinonaphthalene-1- CARBOXAMIDO)BENZENESULFONATE | x-ray diffraction | A | — | — |
| 1ZSJ | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZSJ | Crystal structure of the catalytic domain of coagulation factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZSK | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with… | x-ray diffraction | A | — | — |
| 1ZSK | Crystal structure of the catalytic domain of coagulation factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZSL | Factor XI complexed with a pyrimidi inhibitor | x-ray diffraction | A | — | — |
| 1ZSL | Factor XI complexed with a pyrimidinone inhibitor | x-ray diffraction | A | — | — |
| 1ZTJ | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with… | x-ray diffraction | A | — | — |
| 1ZTJ | Crystal structure of the catalytic domain of coagulation factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZTK | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with… | x-ray diffraction | A | — | — |
| 1ZTK | Crystal structure of the catalytic domain of coagulation factor XI in complex with… | x-ray diffraction | A | — | — |
| 1ZTL | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with… | x-ray diffraction | A | — | — |
| 1ZTL | Crystal structure of the catalytic domain of coagulation factor XI in complex with… | x-ray diffraction | A | — | — |
| 2F83 | Crystal structure at 2.9 ångströms resolution of human plasma coagulation factor XI zymogen | x-ray diffraction | A | — | — |
| 2FDA | Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with… | x-ray diffraction | A | — | — |
| 2FDA | Crystal structure of the catalytic domain of human coagulation factor xia in complex with… | x-ray diffraction | A | — | — |
| 2J8J | Solution Structure of the A4 Domain of Blood Coagulation Factor XI | solution nmr | A, B | — | — |
| 2J8J | Solution structure of the A4 domain of blood coagulation factor XI | solution nmr | A, B | — | — |
| 2J8L | FXI Apple 4 domain loop-out conformation | solution nmr | A, B | — | — |
| 2J8L | Fxi apple 4 domain loop-out conformation | solution nmr | A, B | — | — |
| 3BG8 | Crystal structure of Factor XIa in complex with Clavatadine A | x-ray diffraction | A | — | — |
| 3BG8 | Crystal structure of factor xia in complex with clavatadine a | x-ray diffraction | A | — | — |
| 3SOR | Factor XIa in complex with a clorophenyl-tetrazole inhibitor | x-ray diffraction | A | — | — |
| 3SOR | Factor xia in complex with a clorophenyl-tetrazole inhibitor | x-ray diffraction | A | — | — |
| 3SOS | Benzothiazi inhibitor in complex with FXIa | x-ray diffraction | A | — | — |
| 3SOS | Benzothiazinone inhibitor in complex with fxia | x-ray diffraction | A | — | — |
| 4CR5 | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | x-ray diffraction | A | — | — |
| 4CR5 | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | x-ray diffraction | A | — | — |
| 4CR9 | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | x-ray diffraction | A | — | — |
157 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 57 records
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 9 records
- 7DK · Methyl ((15S)-15-(((2E)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6, 16(19)-pentaen-5-yl)carbamate · in 2 records
- 9EY · Methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl) phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate · in 2 records
- 9F7 · Methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5, 6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate · in 2 records
- 9FA · Methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4, 7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate · in 2 records
- 9ZM · Methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10, 11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate · in 2 records
- ACN · Acetone · in 2 records
- BEN · Benzamidine · in 2 records
- BUV · 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid · in 2 records
- BVM · 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid · in 2 records
- CL · Chloride ion · in 2 records
- CO · Cobalt (II) ion · in 2 records
- EEJ · Methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate · in 2 records
- J7B · 2-[2-[[3-[3-(aminomethyl) phenyl]phenyl]carbonylamino]phenyl]ethanoic acid · in 2 records
- NA · Sodium ion · in 2 records
- NH4 · Ammonium ion · in 2 records
- NRJ · methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate · in 2 records
- NW2 · 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid · in 2 records
- NW5 · 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl) phenyl]methoxy]phenyl]ethanoic acid · in 2 records
- NWE · 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl) phenyl]methoxy]phenyl]ethanoic acid · in 2 records
- OQ6 · Methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3, 4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate · in 2 records
- OQI · methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate · in 2 records
- OQO · 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine · in 2 records
- OR0 · 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine · in 2 records
- ORF · 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine · in 2 records
- ORU · 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole · in 2 records
- OSX · 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole · in 2 records
- OT7 · 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl) phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine · in 2 records
- OTL · 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl) phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine · in 2 records
Experiment against prediction
- 7CJ1 chain A against the predicted model P03951: TM-score 0.98, RMSD 0.60 Å
- 7CJ1 chain A against the predicted model P03951: TM-score 0.98, RMSD 0.60 Å
- 7CJ1 chain C against the predicted model P03951: TM-score 0.98, RMSD 0.60 Å
- 7CJ1 chain C against the predicted model P03951: TM-score 0.98, RMSD 0.60 Å
- 7CJ1 chain D against the predicted model P03951: TM-score 0.98, RMSD 0.60 Å
- 7CJ1 chain D against the predicted model P03951: TM-score 0.98, RMSD 0.60 Å
- 7CJ1 chain B against the predicted model P03951: TM-score 0.98, RMSD 0.61 Å
- 7CJ1 chain B against the predicted model P03951: TM-score 0.98, RMSD 0.61 Å
- 1ZPB chain A against the predicted model P03951: TM-score 0.98, RMSD 0.63 Å
- 1ZPB chain A against the predicted model P03951: TM-score 0.98, RMSD 0.63 Å
Elsewhere
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