UniProt Q6XEC0
Beta-lactamase (Q6XEC0)
Beta-lactamase (UniProt Q6XEC0), EC 3.5.2.6: 149 experimental structures on GenesisL1, 81 ligands bound, 329 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q6XEC0
- Protein
- Beta-lactamase
- EC
- 3.5.2.6
- Experimental structures
- 149
- Predicted models
- 0
- Ligands
- 81
- Pockets
- 329 · 49 records with a druggable one
Structures
149 records of Q6XEC0 in the MolNFT archive: 149 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3HBR | Crystal structure of OXA-48 beta-lactamase | x-ray diffraction | A, B, C, D | — | — |
| 3HBR | Crystal structure of oxa-48 beta-lactamase | x-ray diffraction | A, B, C, D | — | — |
| 4S2J | OXA-48 in complex with Avibactam at pH 6.5 | x-ray diffraction | A, B, C, D | — | — |
| 4S2J | Oxa-48 in complex with avibactam at pH 6.5 | x-ray diffraction | A, B, C, D | — | — |
| 4S2K | OXA-48 in complex with Avibactam at pH 7.5 | x-ray diffraction | A, B, C, D | — | — |
| 4S2K | Oxa-48 in complex with avibactam at pH 7.5 | x-ray diffraction | A, B, C, D | — | — |
| 4S2N | OXA-48 in complex with Avibactam at pH 8.5 | x-ray diffraction | A, B, C, D | — | — |
| 4S2N | Oxa-48 in complex with avibactam at pH 8.5 | x-ray diffraction | A, B, C, D | — | — |
| 4S2P | Crystal structure of unbound OXA-48 | x-ray diffraction | A, B | — | — |
| 4S2P | Crystal structure of unbound oxa-48 | x-ray diffraction | A, B | — | — |
| 4WMC | Oxa-48 covalent complex with avibactam inhibitor | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 5DTK | Fragments bound to the OXA-48 beta-lactamase: Compound 17 | x-ray diffraction | A, B, C, D | CL, 5F3 | — |
| 5DTK | Fragments bound to the oxa-48 beta-lactamase: compound 17 | x-ray diffraction | A, B, C, D | — | — |
| 5DTS | Fragments bound to the OXA-48 beta-lactamase: Compound 2 | x-ray diffraction | A, B, C, D | 5F8, CL | — |
| 5DTS | Fragments bound to the oxa-48 beta-lactamase: compound 2 | x-ray diffraction | A, B, C, D | — | — |
| 5DTT | Fragments bound to the OXA-48 beta-lactamase: Compound 3 | x-ray diffraction | A, B, C, D | CL, 5F5 | — |
| 5DTT | Fragments bound to the oxa-48 beta-lactamase: compound 3 | x-ray diffraction | A, B, C, D | — | — |
| 5DVA | Fragments bound to the OXA-48 beta-lactamase: Compound 1 | x-ray diffraction | A, B, C, D | 5FL, CL | 9 (best 0.74) |
| 5DVA | Fragments bound to the oxa-48 beta-lactamase: compound 1 | x-ray diffraction | A, B, C, D | — | — |
| 5FAQ | OXA-48 in complex with FPI-1465 | x-ray diffraction | A, B | CD, CL, CO | — |
| 5FAQ | Oxa-48 in complex with fpi-1465 | x-ray diffraction | A, B | — | — |
| 5FAS | OXA-48 in complex with FPI-1523 | x-ray diffraction | A, B | CL, CD, CO | — |
| 5FAS | Oxa-48 in complex with fpi-1523 | x-ray diffraction | A, B | — | — |
| 5FAT | OXA-48 in complex with FPI-1602 | x-ray diffraction | A, B | CL, CD, CO | — |
| 5FAT | Oxa-48 in complex with fpi-1602 | x-ray diffraction | A, B | — | — |
| 5HAP | OXA-48 beta-lactamase - S70A mutant | x-ray diffraction | A, B | CL, NA | 2 (best 0.77) |
| 5HAP | Oxa-48 beta-lactamase - S70A mutant | x-ray diffraction | A, B | — | — |
| 5HAQ | OXa-48 beta-lactamase mutant - S70G | x-ray diffraction | A, B | CD | — |
| 5HAQ | Oxa-48 beta-lactamase mutant - S70G | x-ray diffraction | A, B | — | — |
| 5OFT | Structural basis for OXA-48 dimerization | x-ray diffraction | A, B | — | 3 (best 0.77) |
| 5OFT | Structural basis for oxa-48 dimerization | x-ray diffraction | A, B | — | — |
| 5QA4 | Oxa-48 in complex with compound 3A | x-ray diffraction | A, B, C, D | TI7, CL | — |
| 5QA5 | Oxa-48 in complex with compound 3B | x-ray diffraction | A, B, C, D | L5D, CL | — |
| 5QA6 | OXA-48 IN COMPLEX WITH COMPOUND 4a | x-ray diffraction | A, B, C, D | AUV, CL | 9 (best 0.78) |
| 5QA6 | Oxa-48 in complex with compound 4A | x-ray diffraction | A, B, C, D | AUV, CL | — |
| 5QA7 | OXA-48 IN COMPLEX WITH COMPOUND 4b | x-ray diffraction | A, B, C, D | IQQ, CL | 11 (best 0.79) |
| 5QA7 | Oxa-48 in complex with compound 4B | x-ray diffraction | A, B, C, D | IQQ, CL | — |
| 5QA8 | OXA-48 IN COMPLEX WITH COMPOUND 4c | x-ray diffraction | A, B, C, D | JSX, CL | 6 (best 0.77) |
| 5QA8 | Oxa-48 in complex with compound 4C | x-ray diffraction | A, B, C, D | JSX, CL | — |
| 5QA9 | Oxa-48 in complex with compound 5 | x-ray diffraction | A, B, C, D | QKU, CL | 6 (best 0.78) |
| 5QA9 | Oxa-48 in complex with compound 5 | x-ray diffraction | A, B, C, D | QKU, CL | — |
| 5QAA | Oxa-48 in complex with compound 6A | x-ray diffraction | A, B, C, D | EAJ, CL | — |
| 5QAB | OXA-48 IN COMPLEX WITH COMPOUND 6b | x-ray diffraction | A, B, C, D | XEV, CL | 9 (best 0.72) |
| 5QAB | Oxa-48 in complex with compound 6B | x-ray diffraction | A, B, C, D | XEV, CL | — |
| 5QAC | OXA-48 IN COMPLEX WITH COMPOUND 6c | x-ray diffraction | A, B, C, D | U4J, CL | 5 (best 0.79) |
| 5QAC | Oxa-48 in complex with compound 6C | x-ray diffraction | A, B, C, D | U4J, CL | — |
| 5QAD | OXA-48 IN COMPLEX WITH COMPOUND 8a | x-ray diffraction | A, B, C, D | WVV, CL | 9 (best 0.78) |
| 5QAD | Oxa-48 in complex with compound 8A | x-ray diffraction | A, B, C, D | WVV, CL | — |
| 5QAE | OXA-48 IN COMPLEX WITH COMPOUND 8b | x-ray diffraction | A, B, C, D | Q4G, CL | 9 (best 0.77) |
| 5QAE | Oxa-48 in complex with compound 8B | x-ray diffraction | A, B, C, D | Q4G, CL | — |
| 5QAF | Oxa-48 in complex with compound 8C | x-ray diffraction | A, B, C, D | S1D, CL | — |
| 5QAG | OXA-48 IN COMPLEX WITH COMPOUND 9a | x-ray diffraction | A, B, C, D | Q2R, CL | 12 (best 0.75) |
| 5QAG | Oxa-48 in complex with compound 9A | x-ray diffraction | A, B, C, D | Q2R, CL | — |
| 5QAH | OXA-48 IN COMPLEX WITH COMPOUND 9b | x-ray diffraction | A, B, C, D | EFX, CL | 8 (best 0.78) |
| 5QAH | Oxa-48 in complex with compound 9B | x-ray diffraction | A, B, C, D | EFX, CL | — |
| 5QAI | OXA-48 IN COMPLEX WITH COMPOUND 12a | x-ray diffraction | A, B, C, D | VM7, CL | 8 (best 0.78) |
| 5QAI | Oxa-48 in complex with compound 12A | x-ray diffraction | A, B, C, D | VM7, CL | — |
| 5QAJ | Oxa-48 in complex with compound 13 | x-ray diffraction | A, B, C, D | VBC, CL | — |
| 5QAK | Oxa-48 in complex with compound 14 | x-ray diffraction | A, B, C, D | AV4, CL | 11 (best 0.75) |
| 5QAK | Oxa-48 in complex with compound 14 | x-ray diffraction | A, B, C, D | AV4, CL | — |
89 records more on the page itself.
Ligands
- CL · Chloride ion · in 114 records
- CD · Cadmium ion · in 13 records
- CA · Calcium ion · in 11 records
- IM2 · (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid · in 6 records
- SO4 · Sulfate ion · in 6 records
- NA · Sodium ion · in 5 records
- CO2 · Carbon dioxide · in 4 records
- BCT · Bicarbonate ion · in 3 records
- BR · Bromide ion · in 3 records
- CO · Cobalt (II) ion · in 3 records
- CTJ · 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium · in 3 records
- 4J6 · (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid · in 2 records
- 5R7 · (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid · in 2 records
- AUV · 3-(2-hydroxyphenyl)benzoic acid · in 2 records
- AV4 · 3-[3-(dimethylamino)phenyl]benzoic acid · in 2 records
- AVA · 3-pyridin-2-ylbenzoic acid · in 2 records
- AVM · 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid · in 2 records
- CVF · 3-[4-(2-acetamidoethyl)phenyl]benzoic acid · in 2 records
- EFX · 3-(3-methoxycarbonylphenyl)benzoic acid · in 2 records
- F1C · 3,5-bis(3-acetamidophenyl)benzoic acid · in 2 records
- GA6 · 3-[4-(methylsulfonylamino)phenyl]benzoic acid · in 2 records
- H9O · 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid · in 2 records
- IQQ · 3-(3-hydroxyphenyl)benzoic acid · in 2 records
- JSX · 3-(4-hydroxyphenyl)benzoic acid · in 2 records
- LKH · 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1, 2,4-triazol-4-yl]iminomethyl]benzoic acid · in 2 records
- NO3 · Nitrate ion · in 2 records
- O6P · Doripenem · in 2 records
- PO4 · Phosphate ion · in 2 records
- Q2R · 3-(2-methoxycarbonylphenyl)benzoic acid · in 2 records
- Q2S · 3-(1~{H}-indol-5-yl)benzoic acid · in 2 records
Elsewhere
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