UniProt P00734
Prothrombin (P00734)
Prothrombin (UniProt P00734), EC 3.4.21.5: 858 experimental structures on GenesisL1, 60 ligands bound, 88 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- P00734
- Protein
- Prothrombin
- EC
- 3.4.21.5
- Experimental structures
- 858
- Predicted models
- 0
- Ligands
- 60
- Pockets
- 88 · 19 records with a druggable one
Structures
858 records of P00734 in the MolNFT archive: 858 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1A2C | Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA | x-ray diffraction | L, H | — | — |
| 1A2C | Structure of thrombin inhibited by AERUGINOSIN298-a from a blue-green alga | x-ray diffraction | L, H | — | — |
| 1A3B | Complex of human alpha-thrombin with the bifunctional boronate inhibitor BOROLOG1 | x-ray diffraction | L, H | — | — |
| 1A3B | Complex of human alpha-thrombin with the bifunctional boronate inhibitor BOROLOG1 | x-ray diffraction | L, H | — | — |
| 1A3E | Complex of human alpha-thrombin with the bifunctional boronate inhibitor BOROLOG2 | x-ray diffraction | L, H | — | — |
| 1A3E | Complex of human alpha-thrombin with the bifunctional boronate inhibitor BOROLOG2 | x-ray diffraction | L, H | — | — |
| 1A46 | Thrombin complexed with hirugen and a beta-strand mimetic inhibitor | x-ray diffraction | L, H | — | — |
| 1A46 | Thrombin complexed with hirugen and a beta-strand mimetic inhibitor | x-ray diffraction | L, H | — | — |
| 1A4W | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site | x-ray diffraction | L, H | — | — |
| 1A4W | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site | x-ray diffraction | L, H | — | — |
| 1A5G | Human thrombin complexed with novel synthetic peptide mimetic inhibitor and hirugen | x-ray diffraction | L, H | — | — |
| 1A5G | Human thrombin complexed with novel synthetic peptide mimetic inhibitor and hirugen | x-ray diffraction | L, H | — | — |
| 1A61 | Thrombin complexed with a beta-mimetic thiazole-containing inhibitor | x-ray diffraction | L, H | — | — |
| 1A61 | Thrombin complexed with a beta-mimetic thiazole-containing inhibitor | x-ray diffraction | L, H | — | — |
| 1ABI | Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and… | x-ray diffraction | L, H | — | — |
| 1ABI | Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and… | x-ray diffraction | L, H | — | — |
| 1ABJ | Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and… | x-ray diffraction | L, H | — | — |
| 1ABJ | Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and… | x-ray diffraction | L, H | — | — |
| 1AD8 | Complex of thrombin with and inhibitor containing a novel P1 moiety | x-ray diffraction | L, H | — | — |
| 1AD8 | Complex of thrombin with and inhibitor containing a novel P1 moiety | x-ray diffraction | L, H | — | — |
| 1AE8 | Human alpha-thrombin inhibition by eoc-D-phe-pro-azalys-onp | x-ray diffraction | L, H | — | — |
| 1AE8 | Human alpha-thrombin inhibition by eoc-D-phe-pro-azalys-onp | x-ray diffraction | L, H | — | — |
| 1AFE | Human alpha-thrombin inhibition by cbz-pro-azalys-onp | x-ray diffraction | L, H | — | — |
| 1AFE | Human alpha-thrombin inhibition by cbz-pro-azalys-onp | x-ray diffraction | L, H | — | — |
| 1AHT | Crystal structure of human alpha-thrombin complexed with hirugen and P-amidinophenylpyruvate at 1.6… | x-ray diffraction | L, H | — | — |
| 1AHT | Crystal structure of human alpha-thrombin complexed with hirugen and P-amidinophenylpyruvate at 1.6… | x-ray diffraction | L, H | — | — |
| 1AI8 | Human alpha-thrombin ternary complex with the exosite inhibitor hirugen and active site inhibitor… | x-ray diffraction | L, H | — | — |
| 1AI8 | Human alpha-thrombin ternary complex with the exosite inhibitor hirugen and active site inhibitor… | x-ray diffraction | L, H | — | — |
| 1AIX | Human alpha-thrombin ternary complex with exosite inhibitor hirugen and active site inhibitor… | x-ray diffraction | L, H | — | — |
| 1AIX | Human alpha-thrombin ternary complex with exosite inhibitor hirugen and active site inhibitor… | x-ray diffraction | L, H | — | — |
| 1AWF | Novel covalent thrombin inhibitor from plant extract | x-ray diffraction | L, H | — | — |
| 1AWF | Novel covalent thrombin inhibitor from plant extract | x-ray diffraction | L, H | — | — |
| 1AWH | Novel covalent thrombin inhibitor from plant extract | x-ray diffraction | A, B, C, D | — | — |
| 1AWH | Novel covalent thrombin inhibitor from plant extract | x-ray diffraction | A, B, C, D | — | — |
| 1AY6 | Thrombin inhibitor from theonalla, cyclotheanamide-based macrocyclic tripeptide motif | x-ray diffraction | L, H | — | — |
| 1AY6 | Thrombin inhibitor from theonalla, cyclotheanamide-based macrocyclic tripeptide motif | x-ray diffraction | L, H | — | — |
| 1B5G | Human thrombin complexed with novel synthetic peptide mimetic inhibitor and hirugen | x-ray diffraction | L, H | — | — |
| 1B5G | Human thrombin complexed with novel synthetic peptide mimetic inhibitor and hirugen | x-ray diffraction | L, H | — | — |
| 1B7X | Structure of human alpha-thrombin Y225I mutant bound to D-phe-pro-arg-chloromethylketone | x-ray diffraction | A, B | — | — |
| 1B7X | Structure of human alpha-thrombin Y225I mutant bound to D-phe-pro-arg- chloromethylketone | x-ray diffraction | A, B | — | — |
| 1BA8 | Thrombin inhibitor with a rigid tripeptidyl aldehydes | x-ray diffraction | A, B | — | — |
| 1BA8 | Thrombin inhibitor with a rigid tripeptidyl aldehydes | x-ray diffraction | A, B | — | — |
| 1BB0 | Thrombin inhibitors with rigid tripeptidyl aldehydes | x-ray diffraction | A, B | — | — |
| 1BB0 | Thrombin inhibitors with rigid tripeptidyl aldehydes | x-ray diffraction | A, B | — | — |
| 1BCU | Alpha-thrombin complexed with hirugen and proflavin | x-ray diffraction | L, H | — | — |
| 1BCU | Alpha-thrombin complexed with hirugen and proflavin | x-ray diffraction | L, H | — | — |
| 1BHX | X-ray structure of the complex of human alpha thrombin with the inhibitor sdz 229-357 | x-ray diffraction | A, B, F | — | — |
| 1BHX | X-ray structure of the complex of human alpha thrombin with the inhibitor sdz 229-357 | x-ray diffraction | A, B, F | — | — |
| 1BMM | Human alpha-thrombin complexed with [S-(R*,R*)]-4-[(AMINOIMINOMETHYL)AMINO]-N-[[1-[3-hydroxy-2-[(2-N… | x-ray diffraction | L, H | — | — |
| 1BMM | Human alpha-thrombin complexed with [S-(R*,R*)]-4-[(aminoiminomethyl)… | x-ray diffraction | L, H | — | — |
| 1BMN | Human alpha-thrombin complexed with [S-(R*,R*)]-1-(aminoiminomethyl)-N-[[1-[N-[(2-naphthalenylsulfon… | x-ray diffraction | L, H | — | — |
| 1BMN | Human alpha-thrombin complexed with [S-(R*,R*)]-1-(aminoiminomethyl)… | x-ray diffraction | L, H | — | — |
| 1BTH | Structure of thrombin complexed with bovine pancreatic trypsin inhibitor | x-ray diffraction | L, H, J, K | — | — |
| 1BTH | Structure of thrombin complexed with bovine pancreatic trypsin inhibitor | x-ray diffraction | L, H, J, K | — | — |
| 1C1U | Recruiting zinc to mediate potent, specific inhibition of serine proteases | x-ray diffraction | L, H | — | — |
| 1C1U | Recruiting zinc to mediate potent, specific inhibition of serine proteases | x-ray diffraction | L, H | — | — |
| 1C1V | Recruiting zinc to mediate potent, specific inhibition of serine proteases | x-ray diffraction | L, H | — | — |
| 1C1V | Recruiting zinc to mediate potent, specific inhibition of serine proteases | x-ray diffraction | L, H | — | — |
| 1C1W | Recruiting zinc to mediate potent, specific inhibition of serine proteases | x-ray diffraction | L, H | — | — |
| 1C1W | Recruiting zinc to mediate potent, specific inhibition of serine proteases | x-ray diffraction | L, H | — | — |
798 records more on the page itself.
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 92 records
- NA · Sodium ion · in 83 records
- PO4 · Phosphate ion · in 34 records
- 0G6 · D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide · in 8 records
- MG · Magnesium ion · in 5 records
- SO4 · Sulfate ion · in 3 records
- ZN · Zinc ion · in 3 records
- 22U · D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide · in 2 records
- 23U · beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide · in 2 records
- 6TH · (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl) phenyl]methyl]pyrrolidine-2-carboxamide · in 2 records
- 71F · 2-methoxybenzoic acid · in 2 records
- 71U · (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide · in 2 records
- ABN · Benzylamine · in 2 records
- ACE · Acetyl group · in 2 records
- CA · Calcium ion · in 2 records
- F05 · 1H-isoindol-3-amine · in 2 records
- N6H · [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone · in 2 records
- ODB · (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide · in 2 records
- QKE · (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide · in 2 records
- QPW · 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide · in 2 records
- QQ5 · [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone · in 2 records
- X1V · 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3, 6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide · in 2 records
- 02N · 1-(4-methylphenyl)methanamine · in 1 record
- 08D · Sulfamethoxazole · in 1 record
- 2FN · N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy) propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide · in 1 record
- 2OJ · N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl) piperidine-4-carboxamide · in 1 record
- 2TS · (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide · in 1 record
- 32U · D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide · in 1 record
- 47A · 2-amino-1-(4-bromophenyl)ethanone · in 1 record
- 4CC · N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine · in 1 record
Experiment against prediction
- 5TO3 chain B against the predicted model P07204: TM-score 0.28, RMSD 2.19 Å
Elsewhere
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