Target

Ligand

Substrate

Meas. Tech.

ChEMBL_1850962 (CHEMBL4351586)

Citation

 Levy, N; Bruneau, JM; Le Rouzic, E; Bonnard, D; Le Strat, F; Caravano, A; Chevreuil, F; Barbion, J; Chasset, S; Ledoussal, B; Moreau, F; Ruff, M Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design. J Med Chem 62:4742-4754 (2019) [PubMed]  Article Copy BDB DOI

More Info.:

Get all data from this article,  Assay Method

Name:

Peptidoglycan D,D-transpeptidase MrdA

Synonyms:

3.4.16.4 | A4T40_06800 | A8C65_06565 | A8M42_10590 | A8M81_11475 | A9R57_11170 | A9X62_17950 | AA102_17575 | AC067_14880 | AC789_1c06740 | ACN002_0653 | ACN77_23585 | ACN81_02930 | ACU57_00610 | ACU90_10770 | AJ318_06450 | AKG99_04525 | AKN40_3573 | AM266_12990 | AM270_15810 | AM446_20255 | AM464_20455 | AM465_23465 | AMK83_07555 | AML07_08650 | AML35_19555 | APT13_14850 | APT94_14220 | APU18_23835 | APZ14_07410 | ARC77_22795 | AU473_23385 | AUQ13_21670 | AUS26_05760 | AW059_00695 | AW106_14350 | AWE53_022640 | AWF59_001205 | AWG78_004855 | AWP75_25635 | AXA56_21340 | AZZ83_000363 | B1K96_20450 | B7C53_00300 | B9M99_01525 | B9N28_06710 | B9N33_00625 | B9T59_04810 | BANRA_01039 | BANRA_01799 | BANRA_03813 | BB545_12550 | BE932_26780 | BE963_17325 | BEN53_05660 | BER06_08375 | BER14_10865 | BET08_12525 | BFD68_06295 | BH694_01420 | BHF46_03940 | BHS81_03740 | BHS87_03335 | BIQ87_03335 | BIZ41_17225 | BJJ90_19165 | BK248_03025 | BK292_19580 | BK334_18885 | BK373_00230 | BK375_15170 | BK383_17965 | BK400_15025 | BMR12_00230 | BMR13_17905 | BMR14_00085 | BMR18_05570 | BMR21_02520 | BMR26_00475 | BMR28_21575 | BMR35_07140 | BMR38_06360 | BMR49_01645 | BMT49_04785 | BMT53_06960 | BMT91_14235 | BMT94_00120 | BN17_04221 | BON63_00360 | BON66_00665 | BON69_21530 | BON76_07565 | BON81_18240 | BON92_05555 | BON93_07690 | BON96_24170 | BTQ04_10820 | BTQ06_00335 | BUE81_17355 | BVL39_25385 | BW690_14670 | BWP17_18725 | BZL31_25035 | BZL69_08445 | BvCms12BK_01549 | BvCms2454_02030 | BvCms35BK_01019 | BvCmsA75A_05268 | BvCmsC61A_02047 | BvCmsF63A_02265 | BvCmsH15A_04052 | BvCmsHHP001_00901 | BvCmsHHP019_00143 | BvCmsHHP056_03177 | BvCmsJ76A_04308 | BvCmsKKP036_01188 | BvCmsKKP061_04771 | BvCmsKSNP019_01631 | BvCmsKSNP073_05388 | BvCmsKSNP081_02793 | BvCmsKSNP120_02799 | BvCmsKSP008_04578 | BvCmsKSP011_00905 | BvCmsKSP015_03895 | BvCmsKSP018_04391 | BvCmsKSP024_02331 | BvCmsKSP026_01740 | BvCmsKSP036_03308 | BvCmsKSP039_03731 | BvCmsKSP040_03055 | BvCmsKSP045_02712 | BvCmsKSP054_04619 | BvCmsKSP058_00405 | BvCmsKSP061_03262 | BvCmsKSP067_04454 | BvCmsKSP081_04467 | BvCmsKSP083_00491 | BvCmsNSNP006_04294 | BvCmsNSNP023_00770 | BvCmsNSNP027_00437 | BvCmsNSNP036_04334 | BvCmsNSP007_00348 | BvCmsNSP039_01264 | BvCmsNSP045_01894 | BvCmsNSP047_01259 | BvCmsNSP052_04165 | BvCmsNSP072_00558 | BvCmsNSP078_04848 | BvCmsOUP014_00583 | BvCmsSINP011_01869 | BvCmsSINP022_02233 | BvCmsSINP036_02108 | BvCmsSIP006_05030 | BvCmsSIP010_02229 | BvCmsSIP019_00980 | BvCmsSIP044_04601 | C1I39_16650 | C1I57_06625 | C2858_04575 | C2M16_19440 | C2U48_06935 | C3449_07175 | C3K24_22680 | C4J69_08220 | C4K41_14410 | C4M78_22550 | C5N07_14350 | C5P01_19745 | C5P43_08785 | C5P44_03045 | C6976_03420 | C6986_03975 | C6A57_13160 | C6B13_12560 | C7235_17670 | C7B02_17260 | C7B06_19000 | C7B07_18935 | C7B08_21460 | C9025_08575 | C9083_07275 | C9200_12185 | C9212_07635 | C9255_15985 | C9299_15010 | C9E25_08650 | C9E67_22495 | C9Y80_16470 | C9Y95_13075 | C9Z12_11720 | CA268_10745 | CA593_25980 | CA947_08205 | CCL28_17815 | CCZ08_00520 | CCZ11_00615 | CCZ14_01240 | CCZ16_01450 | CCZ17_02920 | CCZ18_01980 | CDL37_27210 | CDL49_17420 | CDN87_03595 | CDW44_03750 | CES94_08025 | CF006_13280 | CG691_11060 | CG692_16230 | CG705_09240 | CG706_04510 | CI641_018905 | CI694_22625 | CI718_11575 | CIG25_12300 | CIJ94_18705 | CJU64_03350 | CNQ52_17370 | CNQ53_19010 | COD30_11105 | COD46_08690 | CPA47_18730 | CQP61_19805 | CR538_18290 | CR539_07560 | CRE06_14845 | CRM83_12555 | CRT43_03395 | CRT46_03355 | CSB64_10285 | CSB65_21790 | CT142_18645 | CT143_01265 | CT144_03650 | CT145_03495 | CT146_03895 | CT147_14685 | CT148_07210 | CT149_19480 | CT150_14015 | CTI76_23710 | CUB98_16935 | CUB99_05360 | CV83915_00949 | CVH05_21975 | CWM24_04065 | CWS33_17420 | CXB56_20825 | CY655_03310 | D0X26_17840 | D1900_02005 | D2183_01785 | D2184_16420 | D2185_16180 | D2F89_07155 | D3821_19505 | D3822_21510 | D3C88_09180 | D3O91_17730 | D3Y67_04915 | D4M06_13965 | D7K63_11175 | D7K66_07590 | D7Y10_12135 | D9D20_13155 | D9D31_14230 | D9D33_04995 | D9D43_19560 | D9E34_12710 | D9E49_13645 | D9G11_05100 | D9G48_09985 | D9H53_05840 | D9H68_07050 | D9H70_03070 | D9H94_21525 | D9I11_15850 | D9I18_09420 | D9I20_06190 | D9I87_09600 | D9I88_08980 | D9I97_03275 | D9J03_15110 | D9J11_17060 | D9J44_18495 | D9J60_00480 | D9K48_00740 | D9K54_03750 | D9L89_08600 | D9L99_11140 | D9X97_10455 | DAH26_13860 | DAH27_06460 | DAH36_14935 | DAH37_10355 | DD647_20425 | DD762_15365 | DDT63_07015 | DEN86_13210 | DEN89_13890 | DEO11_14150 | DEO19_10840 | DIV10_13525 | DIV20_08815 | DIV22_17770 | DIV24_31830 | DIV25_21165 | DL455_16720 | DL800_05220 | DM102_21410 | DM463_00080 | DMI04_12920 | DNB37_11100 | DNK79_08970 | DNQ41_07145 | DNR41_22365 | DNX30_15090 | DOY56_14455 | DP258_13105 | DP277_07030 | DQF57_13405 | DQO13_15780 | DS732_08115 | DS966_04940 | DS980_17375 | DS986_10555 | DTL41_10325 | DTL84_14260 | DTL90_04365 | DTM10_16065 | DTM25_00625 | DTM27_07450 | DTM45_07030 | DU321_01865 | DU333_13920 | DW236_16940 | DWB25_17650 | DXT71_08210 | E0E06_03505 | E2112_05130 | E2119_08925 | E2126_15530 | E2855_00644 | E2863_00670 | E5M00_11205 | EAI42_02440 | EAI46_05425 | EAI52_07165 | EB509_16115 | EB510_05915 | EB515_11195 | EC1094V2_3238 | EC3234A_6c00550 | EC382_07830 | EC95NR1_04870 | ECONIH1_03625 | ECTO124_03586 | ECTO6_03411 | ECs0673 | ED225_11535 | ED600_01825 | ED607_12140 | ED611_11790 | ED648_06330 | ED903_08955 | ED944_15610 | EEA45_06345 | EEP23_08710 | EF173_12580 | EFV06_19060 | EGT48_22530 | EGY17_16620 | EIA08_00355 | EIA21_11275 | EJC75_25265 | EJH97_17060 | EKI52_07680 | EL75_3147 | EL79_3241 | EL80_3197 | ELT33_01955 | ELU85_02000 | ELV00_00080 | ELV07_01775 | ELV11_01405 | ELV13_18895 | ELV26_15445 | ELV32_14765 | EO240_14305 | EO241_08055 | EPS76_12030 | EPS91_08430 | EPS94_17165 | EPS97_12475 | EPT01_08345 | EQ820_15805 | EQ823_19665 | EQ825_13635 | EQ830_13350 | ERL57_12335 | ERS085365_02573 | ERS085366_01316 | ERS085374_02570 | ERS085379_01963 | ERS085383_02824 | ERS085386_01788 | ERS085404_03469 | ERS085406_01653 | ERS085416_02426 | ERS139211_01321 | ERS150873_01937 | ERS150876_03438 | EVY14_02905 | EVY21_08460 | EWK56_12300 | EWK57_01010 | EXM29_01980 | EXX06_11560 | EXX13_16860 | EXX23_12250 | EXX24_13940 | EXX53_16265 | EXX55_11020 | EXX71_14015 | EXX78_14750 | EXX87_16040 | EYD11_16280 | EYY78_04050 | Eco118UI_03790 | ExPECSC022_01337 | ExPECSC036_05002 | ExPECSC038_03046 | ExPECSC065_00264 | FORC28_4337 | FORC82_3406 | GJ11_03475 | GJ12_03860 | HMPREF3040_04679 | HW43_06895 | HmCms184_03074 | HmCmsJML074_00051 | HmCmsJML079_03307 | HmCmsJML146_02662 | HmCmsJML204_04210 | JD73_10635 | MJ49_03385 | MS6198_06880 | MS8345_00609 | NCTC10090_01659 | NCTC10429_05981 | NCTC11022_00779 | NCTC11124_01520 | NCTC11126_06406 | NCTC11181_00871 | NCTC11341_04184 | NCTC11560_00456 | NCTC12950_03929 | NCTC13125_01620 | NCTC13127_04877 | NCTC13148_06400 | NCTC13353_02543 | NCTC13462_01686 | NCTC13846_03400 | NCTC13919_04015 | NCTC7152_03655 | NCTC7927_03988 | NCTC7928_05270 | NCTC8621_03768 | NCTC8622_06772 | NCTC8959_05235 | NCTC8960_01027 | NCTC9006_02414 | NCTC9007_02424 | NCTC9010_03702 | NCTC9036_03621 | NCTC9037_03737 | NCTC9044_03810 | NCTC9045_04113 | NCTC9050_01457 | NCTC9055_00431 | NCTC9058_03342 | NCTC9060_04913 | NCTC9062_04702 | NCTC9075_04779 | NCTC9110_03360 | NCTC9111_03696 | NCTC9119_03681 | NCTC9434_03087 | NCTC9701_03830 | NCTC9702_04177 | NCTC9703_02928 | NCTC9706_00883 | NCTC9775_01851 | NCTC9962_02964 | NCTC9965_03668 | NCTC9969_03735 | PBP-2 | PGD_02695 | PU06_18425 | Penicillin-binding protein 2 | Peptidoglycan D,D-transpeptidase MrdA | RG28_01365 | RK56_025460 | RX35_02332 | SAMEA3472033_02599 | SAMEA3472043_02894 | SAMEA3472047_02026 | SAMEA3472055_01986 | SAMEA3472056_00057 | SAMEA3472067_00638 | SAMEA3472070_02069 | SAMEA3472080_00328 | SAMEA3472089_00523 | SAMEA3472090_01597 | SAMEA3472108_03613 | SAMEA3472110_01684 | SAMEA3472112_01798 | SAMEA3472114_04104 | SAMEA3472115_01399 | SAMEA3472127_02562 | SAMEA3472147_02983 | SAMEA3484427_03137 | SAMEA3484429_03245 | SAMEA3484433_03944 | SAMEA3484434_00066 | SAMEA3485101_01223 | SAMEA3485103_02960 | SAMEA3751239_01560 | SAMEA3751400_02633 | SAMEA3752372_02097 | SAMEA3752379_02225 | SAMEA3752553_00060 | SAMEA3752557_04399 | SAMEA3752559_00988 | SAMEA3752620_01001 | SAMEA3752743_02473 | SAMEA3753064_04097 | SAMEA3753070_00111 | SAMEA3753093_01645 | SAMEA3753106_01728 | SAMEA3753137_01570 | SAMEA3753164_00434 | SAMEA3753290_04320 | SAMEA3753300_04087 | SAMEA3753304_02150 | SAMEA3753397_01555 | SK85_00636 | SM09_01456 | SY51_03215 | U14A_00617 | UC41_17510 | UN86_16800 | UN91_17590 | WM48_03340 | WQ89_00310 | WR15_22320 | YDC107_3897 | pbpA

Type:

PROTEIN

Mol. Mass.:

70868.32

Organism:

Escherichia coli

Description:

ChEMBL_109175

Residue:

633

Sequence:

MKLQNSFRDYTAESALFVRRALVAFLGILLLTGVLIANLYNLQIVRFTDYQTRSNENRIKLVPIAPSRGIIYDRNGIPLALNRTIYQIEMMPEKVDNVQQTLDALRSVVDLTDDDIAAFRKERARSHRFTSIPVKTNLTEVQVARFAVNQYRFPGVEVKGYKRRYYPYGSALTHVIGYVSKINDKDVERLNNDGKLANYAATHDIGKLGIERYYEDVLHGQTGYEEVEVNNRGRVIRQLKEVPPQAGHDIYLTLDLKLQQYIETLLAGSRAAVVVTDPRTGGVLALVSTPSYDPNLFVDGISSKDYSALLNDPNTPLVNRATQGVYPPASTVKPYVAVSALSAGVITRNTTLFDPGWWQLPGSEKRYRDWKKWGHGRLNVTRSLEESADTFFYQVAYDMGIDRLSEWMGKFGYGHYTGIDLAEERSGNMPTREWKQKRFKKPWYQGDTIPVGIGQGYWTATPIQMSKALMILINDGIVKVPHLLMSTAEDGKQVPWVQPHEPPVGDIHSGYWELAKDGMYGVANRPNGTAHKYFASAPYKIAAKSGTAQVFGLKANETYNAHKIAERLRDHKLMTAFAPYNNPQVAVAMILENGGAGPAVGTLMRQILDHIMLGDNNTDLPAENPAVAAAEDH

Blast this sequence in BindingDB or PDB

  
Blast E-value cutoff:

Name:

BDBM50512951

Synonyms:

Avibactam sodium | CHEBI:85982 | Nxl-104

Type:

Small organic molecule

Emp. Form.:

C7H10N3NaO6S

Mol. Mass.:

287.226

SMILES:

[Na;v0+].[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@@H]-2-[#6]-[#7]-1-[#6](=O)-[#7]-2-[#8]S([#8-])(=O)=O |r,TLB:2:4:8:10.12,13:12:4.5.6:8,THB:11:10:4.5.6:8|

Structure:

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Similarity to this molecule at least: