UniProt P04746
Alpha-amylase, pancreatic (P04746)
Alpha-amylase, pancreatic (UniProt P04746), EC 3.2.1.1: 101 experimental structures and 1 predicted model on GenesisL1, 19 ligands bound, 99 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P04746
- Protein
- Alpha-amylase, pancreatic
- EC
- 3.2.1.1
- Experimental structures
- 101
- Predicted models
- 1
- Ligands
- 19
- Pockets
- 99 · 28 records with a druggable one
Structures
102 records of P04746 in the MolNFT archive: 101 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1B2Y | Structure of human pancreatic alpha-amylase in complex with the carbohydrate inhibitor acarbose | x-ray diffraction | A | BGC, AC1, GLC, G6D, CL, CA | 3 (best 0.57) |
| 1B2Y | Structure of human pancreatic alpha-amylase in complex with the carbohydrate inhibitor acarbose | x-ray diffraction | A | — | — |
| 1BSI | Human pancreatic alpha-amylase from pichia pastoris, glycosylated protein | x-ray diffraction | A | NAG, CA, CL | 3 (best 0.55) |
| 1BSI | Human pancreatic alpha-amylase from pichia pastoris, glycosylated protein | x-ray diffraction | A | — | — |
| 1CPU | Subsite mapping of the active site of human pancreatic alpha-amylase using substrates, the… | x-ray diffraction | A | GLC, AGL, NAG, CA, CL, HMC | 4 (best 0.56) |
| 1CPU | Subsite mapping of the active site of human pancreatic alpha-amylase using substrates, the… | x-ray diffraction | A | — | — |
| 1HNY | The structure of human pancreatic alpha-amylase at 1.8 angstroms resolution and comparisons with… | x-ray diffraction | A | CA, CL | 3 (best 0.58) |
| 1HNY | The structure of human pancreatic alpha-amylase at 1.8 ångströms resolution and comparisons with… | x-ray diffraction | A | — | — |
| 1KB3 | Three Dimensional Structure Analysis of the R195A Variant of Human Pancreatic Alpha Amylase | x-ray diffraction | A | NAG, CA | 3 (best 0.55) |
| 1KB3 | Three dimensional structure analysis of the R195A variant of human pancreatic alpha amylase | x-ray diffraction | A | — | — |
| 1KBB | Mechanistic Analyses of Catalysis in Human Pancreatic alpha-Amylase: Detailed Kinetic and… | x-ray diffraction | A | CA, CL | 2 (best 0.62) |
| 1KBB | Mechanistic analyses of catalysis in human pancreatic alpha-amylase: detailed kinetic and… | x-ray diffraction | A | — | — |
| 1KBK | Mechanistic Analyses of Catalysis in Human Pancreatic Alpha-Amylase: Detailed Kinetic and… | x-ray diffraction | A | NAG, CA, CL | 3 (best 0.59) |
| 1KBK | Mechanistic analyses of catalysis in human pancreatic alpha-amylase: detailed kinetic and… | x-ray diffraction | A | — | — |
| 1KGU | Three dimensional structure analysis of the R337A variant of human pancreatic alpha-amylase | x-ray diffraction | A | CA | 4 (best 0.72) |
| 1KGU | Three dimensional structure analysis of the R337A variant of human pancreatic alpha-amylase | x-ray diffraction | A | — | — |
| 1KGW | Three dimensional structure analysis of the R337Q variant of human pancreatic alpha-mylase | x-ray diffraction | A | NAG, CA | 3 (best 0.57) |
| 1KGW | Three dimensional structure analysis of the R337Q variant of human pancreatic alpha-mylase | x-ray diffraction | A | — | — |
| 1KGX | Three Dimensional Structure Analysis of the R195Q Variant of Human Pancreatic Alpha Amylase | x-ray diffraction | A | NAG, CA | 3 (best 0.55) |
| 1KGX | Three dimensional structure analysis of the R195Q variant of human pancreatic alpha amylase | x-ray diffraction | A | — | — |
| 1U2Y | In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure… | x-ray diffraction | A | NAG, CA, CL, GOX | 3 (best 0.57) |
| 1U2Y | In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure… | x-ray diffraction | A | — | — |
| 1U30 | In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure… | x-ray diffraction | A | NAG, LAG, CA, CL, GOX | 3 (best 0.56) |
| 1U30 | In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure… | x-ray diffraction | A | — | — |
| 1U33 | In situ extension as an approach for identifying novel alpha-amylase inhibitors | x-ray diffraction | A | NAG, LM2, CA, CL | 4 (best 0.56) |
| 1U33 | In situ extension as an approach for identifying novel alpha-amylase inhibitors | x-ray diffraction | A | — | — |
| 1XCW | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic… | x-ray diffraction | A | GLC, AC1, CA, CL, NAG | 3 (best 0.58) |
| 1XCW | Acarbose rearrangement mechanism implied by the kinetic and structural analysis of human pancreatic… | x-ray diffraction | A | — | — |
| 1XCX | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic… | x-ray diffraction | A | BGC, GLC, AC1, CA, CL, NAG | 3 (best 0.59) |
| 1XCX | Acarbose rearrangement mechanism implied by the kinetic and structural analysis of human pancreatic… | x-ray diffraction | A | — | — |
| 1XD0 | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic… | x-ray diffraction | A | NAG, ARE, CA, CL | 3 (best 0.57) |
| 1XD0 | Acarbose rearrangement mechanism implied by the kinetic and structural analysis of human pancreatic… | x-ray diffraction | A | — | — |
| 1XD1 | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic… | x-ray diffraction | A | NAG, 6SA, CA, CL | 4 (best 0.58) |
| 1XD1 | Acarbose rearrangement mechanism implied by the kinetic and structural analysis of human pancreatic… | x-ray diffraction | A | — | — |
| 1XGZ | Structure of the N298S variant of human pancreatic alpha-amylase | x-ray diffraction | A | NAG, CA | 3 (best 0.61) |
| 1XGZ | Structure of the N298S variant of human pancreatic alpha-amylase | x-ray diffraction | A | — | — |
| 1XH0 | Structure of the N298S variant of human pancreatic alpha-amylase complexed with acarbose | x-ray diffraction | A | NAG, AAO | 3 (best 0.56) |
| 1XH0 | Structure of the N298S variant of human pancreatic alpha-amylase complexed with acarbose | x-ray diffraction | A | — | — |
| 1XH1 | Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride | x-ray diffraction | A | NAG, CA, CL | 3 (best 0.57) |
| 1XH1 | Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride | x-ray diffraction | A | — | — |
| 1XH2 | Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride and… | x-ray diffraction | A | NAG, ARE, CA, CL | 3 (best 0.57) |
| 1XH2 | Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride and… | x-ray diffraction | A | — | — |
| 2CPU | Subsite mapping of the active site of human pancreatic alpha-amylase using substrates, the… | x-ray diffraction | A | CA, CL | 3 (best 0.57) |
| 2CPU | Subsite mapping of the active site of human pancreatic alpha-amylase using substrates, the… | x-ray diffraction | A | — | — |
| 2QMK | Human pancreatic alpha-amylase complexed with nitrite | x-ray diffraction | A | — | — |
| 2QMK | Human pancreatic alpha-amylase complexed with nitrite | x-ray diffraction | A | — | — |
| 2QV4 | Human pancreatic alpha-amylase complexed with nitrite and acarbose | x-ray diffraction | A | — | — |
| 2QV4 | Human pancreatic alpha-amylase complexed with nitrite and acarbose | x-ray diffraction | A | — | — |
| 3BAI | Human Pancreatic Alpha Amylase with Bound Nitrate | x-ray diffraction | A | — | — |
| 3BAI | Human pancreatic alpha amylase with bound nitrate | x-ray diffraction | A | — | — |
| 3BAJ | Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose | x-ray diffraction | A | — | — |
| 3BAJ | Human pancreatic alpha-amylase in complex with nitrate and acarbose | x-ray diffraction | A | — | — |
| 3BAK | N298S mutant of Human Pancreatic Alpha-Amylase in complex with nitrate | x-ray diffraction | A | — | — |
| 3BAK | N298S mutant of human pancreatic alpha-amylase in complex with nitrate | x-ray diffraction | A | — | — |
| 3BAW | Human pancreatic alpha-amylase complexed with azide | x-ray diffraction | A | — | — |
| 3BAW | Human pancreatic alpha-amylase complexed with azide | x-ray diffraction | A | — | — |
| 3BAX | N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Azide | x-ray diffraction | A | — | — |
| 3BAX | N298S variant of human pancreatic alpha-amylase in complex with azide | x-ray diffraction | A | — | — |
| 3BAY | N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose | x-ray diffraction | A | — | — |
| 3BAY | N298S variant of human pancreatic alpha-amylase in complex with nitrate and acarbose | x-ray diffraction | A | — | — |
42 records more on the page itself.
Ligands
- CA · Calcium ion · in 36 records
- CL · Chloride ion · in 31 records
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 23 records
- GLC · alpha-D-glucopyranose · in 7 records
- AC1 · 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose · in 3 records
- ARE · Acarbose derived pentasaccharide · in 2 records
- BGC · beta-D-glucopyranose · in 2 records
- GOX · (2S,3S,4R,5R)-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol · in 2 records
- 5J7 · 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside · in 1 record
- 5QP · (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside · in 1 record
- 6SA · Acarbose derived hexasaccharide · in 1 record
- AAO · Acarbose derived hexasaccharide · in 1 record
- AGL · 4-amino-4,6-dideoxy-alpha-D-glucopyranose · in 1 record
- G6D · alpha-D-quinovopyranose · in 1 record
- HMC · 5-hydroxymethyl-chonduritol · in 1 record
- LAG · Maltosyl-alpha (1,4)-(Z,3S,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one oxime · in 1 record
- LM2 · 4'-O-methyl-maltosyl-alpha (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one · in 1 record
- ZXU · N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-L-tyrosinamide · in 1 record
- ZXY · N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide · in 1 record
Experiment against prediction
- 1U2Y chain A against the predicted model P04746: TM-score 1.00, RMSD 0.24 Å
- 1U2Y chain A against the predicted model P04746: TM-score 1.00, RMSD 0.24 Å
- 2CPU chain A against the predicted model P04746: TM-score 1.00, RMSD 0.24 Å
- 2CPU chain A against the predicted model P04746: TM-score 1.00, RMSD 0.24 Å
- 3IJ8 chain A against the predicted model P04746: TM-score 1.00, RMSD 0.25 Å
- 3IJ8 chain A against the predicted model P04746: TM-score 1.00, RMSD 0.25 Å
- 1BSI chain A against the predicted model P04746: TM-score 1.00, RMSD 0.25 Å
- 1BSI chain A against the predicted model P04746: TM-score 1.00, RMSD 0.25 Å
- 1XH1 chain A against the predicted model P04746: TM-score 1.00, RMSD 0.25 Å
- 1XH1 chain A against the predicted model P04746: TM-score 1.00, RMSD 0.25 Å
Elsewhere
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