1dd6

IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR

Method: X-RAY DIFFRACTION D_max: 97.9 Å Quality: REASONABLE

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1. Protein Identity and Related Structures Protein Identity & Related Structures

IMP-1 METALLO BETA-LACTAMASE

Pseudomonas aeruginosa

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 19–246	Not recorded	SO4 SULFATE ION × 1 ZN ZINC ION × 2 MCI (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；SITTING DROPS WERE PREPARED BY MIXING EQUAL VOLUMES OF PROTEIN WHICH WAS 14 MG/ ML IN 20MM HEPES, PH 7.5 AND TO WHICH AN EXCESS OF SOLID INHIBITOR HAD BEEN ADDED AND RESERVOIR SOLUTION (30% PEG 2000 MONOMETHYLETHER, 0.1M SODIUM ACETATE, PH 5.0 AND 0.2M AMMONIUM SULFATE). THIS MIXTURE WAS INCUBATED OVERNIGHT AT 4C AND CENTRIFUGED TO REMOVE PRECIPITATE BEFORE SETTING UP CRYSTALLIZATION DROPS. CO-CRYSTALS WERE GROWN FROM 6 ML SITTING DROPS OF THE PROTEIN-RESERVOIR SOLUTION AND 0.3 ML OF THE RESERVOIR SOLUTION AT EITHER ROOM TEMPERATURE OR 4C, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.00 Å R-free 0.259
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 19–246	Not recorded	ZN ZINC ION × 2 MCI (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；SITTING DROPS WERE PREPARED BY MIXING EQUAL VOLUMES OF PROTEIN WHICH WAS 14 MG/ ML IN 20MM HEPES, PH 7.5 AND TO WHICH AN EXCESS OF SOLID INHIBITOR HAD BEEN ADDED AND RESERVOIR SOLUTION (30% PEG 2000 MONOMETHYLETHER, 0.1M SODIUM ACETATE, PH 5.0 AND 0.2M AMMONIUM SULFATE). THIS MIXTURE WAS INCUBATED OVERNIGHT AT 4C AND CENTRIFUGED TO REMOVE PRECIPITATE BEFORE SETTING UP CRYSTALLIZATION DROPS. CO-CRYSTALS WERE GROWN FROM 6 ML SITTING DROPS OF THE PROTEIN-RESERVOIR SOLUTION AND 0.3 ML OF THE RESERVOIR SOLUTION AT EITHER ROOM TEMPERATURE OR 4C, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.00 Å R-free 0.259

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 1DD6	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1JJE IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11) Deposited 2001-07-04	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–240（222 aa） Fragment：metallo-beta-lactamase	Not recorded	ZN ZINC ION × 3 ACT ACETATE ION × 1 BYS 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；310 K；PEG MONOMETHYL ETHER 550, ZINC ACETATE, MES PH 6.7-7.1, 310 K, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 310K	Resolution 1.80 Å R-free 0.291
1JJE IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11) Deposited 2001-07-04	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–240（222 aa） Fragment：metallo-beta-lactamase	Not recorded	ZN ZINC ION × 3 ACT ACETATE ION × 1 BYS 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；310 K；PEG MONOMETHYL ETHER 550, ZINC ACETATE, MES PH 6.7-7.1, 310 K, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 310K	Resolution 1.80 Å R-free 0.291
1JJE IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11) Deposited 2001-07-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 19–240（222 aa） Fragment：metallo-beta-lactamase Chain B 19–240（222 aa） Fragment：metallo-beta-lactamase	Not recorded	ZN ZINC ION × 6 ACT ACETATE ION × 2 BYS 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；310 K；PEG MONOMETHYL ETHER 550, ZINC ACETATE, MES PH 6.7-7.1, 310 K, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 310K	Resolution 1.80 Å R-free 0.291
1JJT IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (1) Deposited 2001-07-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa） Fragment：METALLO-BETA-LACTAMASE	Not recorded	ZN ZINC ION × 3 ACT ACETATE ION × 1 BDS 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；310 K；peg monomethyl ether 550, zinc acetate, mes pH 6.7-7.1, 310 K, pH 6.9, VAPOR DIFFUSION, HANGING DROP	Resolution 1.80 Å R-free 0.296
1JJT IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (1) Deposited 2001-07-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa） Fragment：METALLO-BETA-LACTAMASE	Not recorded	ZN ZINC ION × 3 ACT ACETATE ION × 1 BDS 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；310 K；peg monomethyl ether 550, zinc acetate, mes pH 6.7-7.1, 310 K, pH 6.9, VAPOR DIFFUSION, HANGING DROP	Resolution 1.80 Å R-free 0.296
1JJT IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (1) Deposited 2001-07-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 19–246（228 aa） Fragment：METALLO-BETA-LACTAMASE Chain B 19–246（228 aa） Fragment：METALLO-BETA-LACTAMASE	Not recorded	ZN ZINC ION × 6 ACT ACETATE ION × 2 BDS 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；310 K；peg monomethyl ether 550, zinc acetate, mes pH 6.7-7.1, 310 K, pH 6.9, VAPOR DIFFUSION, HANGING DROP	Resolution 1.80 Å R-free 0.296
1VGN Structure-based design of the irreversible inhibitors to metallo--lactamase (IMP-1) Deposited 2004-04-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 19–246（228 aa） Chain B 19–246（228 aa）	Not recorded	ZN ZINC ION × 4 OPS 3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE × 2 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；PEG MME2000, (NH3)2SO4, CH3COONa, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.63 Å R-free 0.243
1WUO Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81A) Deposited 2004-12-08	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Mutation：D81A Non-standard monomer：Yes (specific site not provided by mmCIF)	ZN ZINC ION × 1 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；acetic-acetate, citrate, PEG4000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K	Resolution 2.01 Å R-free 0.218
1WUO Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81A) Deposited 2004-12-08	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Mutation：D81A Non-standard monomer：Yes (specific site not provided by mmCIF)	ZN ZINC ION × 1 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；acetic-acetate, citrate, PEG4000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K	Resolution 2.01 Å R-free 0.218
1WUO Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81A) Deposited 2004-12-08	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 19–246（228 aa）	Mutation：D81A Non-standard monomer：Yes (specific site not provided by mmCIF)	ZN ZINC ION × 1 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；acetic-acetate, citrate, PEG4000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K	Resolution 2.01 Å R-free 0.218
1WUO Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81A) Deposited 2004-12-08	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 19–246（228 aa）	Mutation：D81A Non-standard monomer：Yes (specific site not provided by mmCIF)	ZN ZINC ION × 1 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；acetic-acetate, citrate, PEG4000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K	Resolution 2.01 Å R-free 0.218
1WUP Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81E) Deposited 2004-12-08	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Mutation：D81E	ZN ZINC ION × 2 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；acetic-acetate, citrate, PEG4000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K	Resolution 3.00 Å R-free 0.295
1WUP Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81E) Deposited 2004-12-08	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Mutation：D81E	ZN ZINC ION × 2 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；acetic-acetate, citrate, PEG4000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K	Resolution 3.00 Å R-free 0.295
1WUP Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81E) Deposited 2004-12-08	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 19–246（228 aa）	Mutation：D81E	ZN ZINC ION × 2 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；acetic-acetate, citrate, PEG4000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K	Resolution 3.00 Å R-free 0.295
1WUP Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81E) Deposited 2004-12-08	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 19–246（228 aa）	Mutation：D81E	ZN ZINC ION × 2 ACY ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；297 K；acetic-acetate, citrate, PEG4000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K	Resolution 3.00 Å R-free 0.295
2DOO The structure of IMP-1 complexed with the detecting reagent (DansylC4SH) by a fluorescent probe Deposited 2006-05-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 19–246（228 aa） Chain B 19–246（228 aa）	Not recorded	ZN ZINC ION × 4 C4H N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；HEPES, SODIUM ACETATE, SODIUM-CITRATE, PEG 4000, PH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.43 Å R-free 0.225
4C1F Crystal structure of the metallo-beta-lactamase IMP-1 with L-captopril Deposited 2013-08-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa） Fragment：RESIDUES 19-245	Not recorded	X8Z L-CAPTOPRIL × 1 SO4 SULFATE ION × 3 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.5；0.05 M LI2SO4, 0.1 M SODIUM ACETATE, PH 4.5, 23 % W/V PEG 8000, 1MM DTT.	Resolution 2.01 Å R-free 0.224
4C1F Crystal structure of the metallo-beta-lactamase IMP-1 with L-captopril Deposited 2013-08-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa） Fragment：RESIDUES 19-245	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.5；0.05 M LI2SO4, 0.1 M SODIUM ACETATE, PH 4.5, 23 % W/V PEG 8000, 1MM DTT.	Resolution 2.01 Å R-free 0.224
4C1G Crystal structure of the metallo-beta-lactamase IMP-1 with D-captopril Deposited 2013-08-12	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 MCO 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.5；0.05 M LI2SO4, 0.1 M SODIUM ACETATE, PH 4.5, 23 % W/V PEG 8000, 1MM DTT.	Resolution 1.71 Å R-free 0.176
4C1G Crystal structure of the metallo-beta-lactamase IMP-1 with D-captopril Deposited 2013-08-12	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.5；0.05 M LI2SO4, 0.1 M SODIUM ACETATE, PH 4.5, 23 % W/V PEG 8000, 1MM DTT.	Resolution 1.71 Å R-free 0.176
5EV6 Crystal structure of the native, di-zinc metallo-beta-lactamase IMP-1 Deposited 2015-11-19	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1 ul reagent.	Resolution 1.98 Å R-free 0.204
5EV6 Crystal structure of the native, di-zinc metallo-beta-lactamase IMP-1 Deposited 2015-11-19	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1 ul reagent.	Resolution 1.98 Å R-free 0.204
5EV6 Crystal structure of the native, di-zinc metallo-beta-lactamase IMP-1 Deposited 2015-11-19	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 19–246（228 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1 ul reagent.	Resolution 1.98 Å R-free 0.204
5EV6 Crystal structure of the native, di-zinc metallo-beta-lactamase IMP-1 Deposited 2015-11-19	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 19–246（228 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1 ul reagent.	Resolution 1.98 Å R-free 0.204
5EV8 Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor D-CS319 Deposited 2015-11-19	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 3R9 (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.30 Å R-free 0.220
5EV8 Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor D-CS319 Deposited 2015-11-19	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 3R9 (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 3 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.30 Å R-free 0.220
5EV8 Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor D-CS319 Deposited 2015-11-19	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 3R9 (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.30 Å R-free 0.220
5EV8 Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor D-CS319 Deposited 2015-11-19	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 3R9 (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.30 Å R-free 0.220
5EWA Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26 Deposited 2015-11-20	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 9BZ (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.30 Å R-free 0.222
5EWA Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26 Deposited 2015-11-20	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 9BZ (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.30 Å R-free 0.222
5EWA Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26 Deposited 2015-11-20	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 9BZ (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.30 Å R-free 0.222
5EWA Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26 Deposited 2015-11-20	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 9BZ (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.30 Å R-free 0.222
5HH4 Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor Deposited 2016-01-09	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 60M 6-(phosphonomethyl)pyridine-2-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.00 Å R-free 0.206
5HH4 Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor Deposited 2016-01-09	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 60M 6-(phosphonomethyl)pyridine-2-carboxylic acid × 1 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.00 Å R-free 0.206
5HH4 Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor Deposited 2016-01-09	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.00 Å R-free 0.206
5HH4 Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor Deposited 2016-01-09	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 2.00 Å R-free 0.206
5Y5B Crystal Structure Of IMP-1 Metallo-beta-lactamase Deposited 2017-08-08	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 SO4 SULFATE ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG 3350, 0.2M sodium acetate, 0.1M HEPES	Resolution 1.70 Å R-free 0.199
6JED Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR Deposited 2019-02-05	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 MCR SULFANYLACETIC ACID × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M sodium acetate, 0.1M sodium HEPES buffer (pH 7.5), 25% PEG 3350	Resolution 1.57 Å R-free 0.200
6JKA Crystal structure of metallo-beta-lactamse, IMP-1, in complex with a thiazole-bearing inhibitor Deposited 2019-02-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 20–242（223 aa） Chain C 20–242（223 aa）	Not recorded	ZN ZINC ION × 4 BS0 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；291 K；0.1M Sodium Citrate, 0.2M Sodium Acetate, 28%(v/v) PEG8000	Resolution 2.01 Å R-free 0.250
6JKA Crystal structure of metallo-beta-lactamse, IMP-1, in complex with a thiazole-bearing inhibitor Deposited 2019-02-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 20–242（223 aa） Chain D 20–242（223 aa）	Not recorded	ZN ZINC ION × 4 BQU 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；291 K；0.1M Sodium Citrate, 0.2M Sodium Acetate, 28%(v/v) PEG8000	Resolution 2.01 Å R-free 0.250
6LBL Crystal structure of IMP-1 metallo-beta-lactamase in complex with NO9 inhibitor Deposited 2019-11-14	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 NA SODIUM ION × 1 NO9 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG 3350, 0.2M sodium acetate, 0.1M HEPES	Resolution 1.68 Å R-free 0.208
6ZYR Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b Deposited 2020-08-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 QT2 (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 1.87 Å R-free 0.219
6ZYR Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b Deposited 2020-08-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 QT2 (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 4 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 1.87 Å R-free 0.219
6ZYR Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b Deposited 2020-08-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 QT2 (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 1.87 Å R-free 0.219
6ZYR Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b Deposited 2020-08-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 QT2 (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent	Resolution 1.87 Å R-free 0.219
6ZYS Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b Deposited 2020-08-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 QST (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1 ul reagent.	Resolution 1.87 Å R-free 0.201
6ZYS Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b Deposited 2020-08-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 QST (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1 ul reagent.	Resolution 1.87 Å R-free 0.201
6ZYS Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b Deposited 2020-08-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 QST (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1 ul reagent.	Resolution 1.87 Å R-free 0.201
6ZYS Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b Deposited 2020-08-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 QST (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；292 K；0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1 ul reagent.	Resolution 1.87 Å R-free 0.201
7DTM Crystal structure of metallo-beta-lactamase IMP-1 in complex with citrate. Deposited 2021-01-06	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 FLC CITRATE ANION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M citric acid-sodium citrate buffer, 0.2M sodium acetate, PEG4000 30w/v%	Resolution 2.00 Å R-free 0.248
7DTM Crystal structure of metallo-beta-lactamase IMP-1 in complex with citrate. Deposited 2021-01-06	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 FLC CITRATE ANION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M citric acid-sodium citrate buffer, 0.2M sodium acetate, PEG4000 30w/v%	Resolution 2.00 Å R-free 0.248
7DTM Crystal structure of metallo-beta-lactamase IMP-1 in complex with citrate. Deposited 2021-01-06	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 FLC CITRATE ANION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M citric acid-sodium citrate buffer, 0.2M sodium acetate, PEG4000 30w/v%	Resolution 2.00 Å R-free 0.248
7DTM Crystal structure of metallo-beta-lactamase IMP-1 in complex with citrate. Deposited 2021-01-06	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 19–246（228 aa）	Not recorded	ZN ZINC ION × 2 FLC CITRATE ANION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M citric acid-sodium citrate buffer, 0.2M sodium acetate, PEG4000 30w/v%	Resolution 2.00 Å R-free 0.248
7DTN Crystal structure of metallo-beta-lactamase IMP-1 mutant (D120E) in complex with citrate. Deposited 2021-01-06	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 19–246（228 aa）	Mutation：D81E Non-standard monomer：Yes (specific site not provided by mmCIF)	ZN ZINC ION × 2 FLC CITRATE ANION × 1 AE3 2-(2-ETHOXYETHOXY)ETHANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M citric acid-sodium citrate buffer, 0.2M sodium acetate, PEG4000 30 w/v%	Resolution 1.85 Å R-free 0.196
7DTN Crystal structure of metallo-beta-lactamase IMP-1 mutant (D120E) in complex with citrate. Deposited 2021-01-06	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 19–246（228 aa）	Mutation：D81E Non-standard monomer：Yes (specific site not provided by mmCIF)	ZN ZINC ION × 2 FLC CITRATE ANION × 1 AE3 2-(2-ETHOXYETHOXY)ETHANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M citric acid-sodium citrate buffer, 0.2M sodium acetate, PEG4000 30 w/v%	Resolution 1.85 Å R-free 0.196
7DTN Crystal structure of metallo-beta-lactamase IMP-1 mutant (D120E) in complex with citrate. Deposited 2021-01-06	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 19–246（228 aa）	Mutation：D81E Non-standard monomer：Yes (specific site not provided by mmCIF)	ZN ZINC ION × 2 FLC CITRATE ANION × 1 AE3 2-(2-ETHOXYETHOXY)ETHANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M citric acid-sodium citrate buffer, 0.2M sodium acetate, PEG4000 30 w/v%	Resolution 1.85 Å R-free 0.196
7DTN Crystal structure of metallo-beta-lactamase IMP-1 mutant (D120E) in complex with citrate. Deposited 2021-01-06	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 19–246（228 aa）	Mutation：D81E Non-standard monomer：Yes (specific site not provided by mmCIF)	ZN ZINC ION × 2 FLC CITRATE ANION × 1 AE3 2-(2-ETHOXYETHOXY)ETHANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M citric acid-sodium citrate buffer, 0.2M sodium acetate, PEG4000 30 w/v%	Resolution 1.85 Å R-free 0.196
8Z5L Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor Deposited 2024-04-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 20–246（227 aa）	Not recorded	ZN ZINC ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；100mM HEPES, 15%(W/V) PEG 20000	Resolution 2.65 Å R-free 0.288
8Z5L Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor Deposited 2024-04-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 20–246（227 aa）	Not recorded	ZN ZINC ION × 3 A1LXO 3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；100mM HEPES, 15%(W/V) PEG 20000	Resolution 2.65 Å R-free 0.288
8Z5L Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor Deposited 2024-04-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 20–246（227 aa）	Not recorded	ZN ZINC ION × 3 A1LXO 3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；100mM HEPES, 15%(W/V) PEG 20000	Resolution 2.65 Å R-free 0.288
8Z5L Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor Deposited 2024-04-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 20–246（227 aa）	Not recorded	ZN ZINC ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；100mM HEPES, 15%(W/V) PEG 20000	Resolution 2.65 Å R-free 0.288
8ZTB Crystal Structure of Active Site Influencing Variant (F218Y) of Imp-1 Metallo-beta-lactamase. Deposited 2024-06-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 20–239（220 aa） Chain B 20–239（220 aa）	Mutation：F218Y Mutation：F218Y	ACT ACETATE ION × 2 ZN ZINC ION × 4 NA SODIUM ION × 1 CL CHLORIDE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 2 PO4 PHOSPHATE ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.2M Sodium Acetate, 0.1M Sodium Citrate, 34% PEG 4000	Resolution 2.90 Å R-free 0.272

22 other PDB entries and 62 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	BLAB_SERMA
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–228； UniProt 19–246 Author chain B； PDBConstruct 1–228； UniProt 19–246

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1dd6
Deposition date deposition_date	1999-11-08
Structure title title	IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR
Keywords keywords	METALLO BETA-LACTAMASE INHIBITOR, MERCAPTOCARBOXYLATE INHIBITOR, IMP-1 METALLO BETA-LACTAMASE, HYDROLASE; HYDROLASE
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	32.06 Å
Radius of gyration Rg (electron density) rg_electron	31.83 Å
Forward intensity I(0) i0	35112200.00
Molecular weight molecular_weight	49012.0 kDa
Excluded volume excluded_volume	62113 Å³
Envelope volume envelope_volume	79880 Å³
Hydration-shell volume shell_volume	20762 Å³
Envelope diameter envelope_diameter	97.8 Å
Shell Rg shell_rg	39.29 Å
Envelope Rg envelope_rg	30.81 Å
Shape Rg shape_rg	31.82 Å
Total Rg total_rg	32.52 Å
Total atoms total_atoms	3455
Residues n_residues	433
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	97.9 Å
Rg (real space) rg_real	32.31 Å
Rg uncertainty (real space) rg_real_error	0.79 Å
I(0) (real space) i0_real	3.5110e+07
I(0) uncertainty (real space) i0_real_error	5.1600e+05
Rg (reciprocal space) rg_reciprocal	32.22 Å
I(0) (reciprocal space) i0_reciprocal	35110000.0000
Solution quality estimate total_estimate	0.6803
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	22.0 Å
Skewness Skewness skewness	0.205
Kurtosis Kurtosis kurtosis	-1.200
Angular range angular_range	— – 0.2450 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	12070000.0000
Real-space data points n_real_points	50
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.211; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.417; Smooth: 0.789

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	IMP-1 METALLO BETA-LACTAMASE
Molecular weight formula_weight	25146.7 kDa
EC 编号 ec_number	3.5.2.6
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	3804

AESLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELTNELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERKILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGDASLLKLTLEQAVKGLNESKKPSKPSN

来源 Source

来源生物 organism	Pseudomonas aeruginosa
NCBI Class编号 ncbi_taxonomy_id	287
宿主生物 host_organism	Escherichia coli BL21

Entity 2 Entity 2 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 4 Entity 4 non-polymer

Description description	(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID
Molecular weight formula_weight	429.5 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	340

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1dd6a_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.157 — Metallo-hydrolase/oxidoreductase
Superfamily Superfamily superfamily	d.157.1 — Metallo-hydrolase/oxidoreductase
Family Family family	d.157.1.1 — Zn metallo-beta-lactamase

Domain ID domain_id	d1dd6b_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.157 — Metallo-hydrolase/oxidoreductase
Superfamily Superfamily superfamily	d.157.1 — Metallo-hydrolase/oxidoreductase
Family Family family	d.157.1.1 — Zn metallo-beta-lactamase

CATH v4.4 (2 domains)

Domain ID domain_id	1dd6A00
Class class	3 — Alpha Beta
Architecture architecture	60 — 4-Layer Sandwich
Topology topology	15 — Metallo-beta-lactamase; Chain A
Homologous superfamily homologous superfamily	10 — Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

Domain ID domain_id	1dd6B00
Class class	3 — Alpha Beta
Architecture architecture	60 — 4-Layer Sandwich
Topology topology	15 — Metallo-beta-lactamase; Chain A
Homologous superfamily homologous superfamily	10 — Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

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8. Citations (1)

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Unit-cell length a length_a	49.300 Å
Unit-cell length b length_b	51.200 Å
Unit-cell length c length_c	203.300 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	2.000 Å
Low-resolution limit resolution_low	20.000 Å
R factor r_factor	0.1980
R_work r_work	0.1980
R_free r_free	0.2590

fit	/app/data/saxs_computation/dd/1dd6/1dd6.fit
pddf	/app/data/pr_computation/dd/1dd6/1dd6.pr.out
profile	/app/data/saxs_computation/dd/1dd6/1dd6.dat