1zlh

Crystal structure of the tick carboxypeptidase inhibitor in complex with bovine carboxypeptidase A

Method: X-RAY DIFFRACTION D_max: 69.4 Å Quality: GOOD

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

Carboxypeptidase A1

Bos taurus

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 111–419	Not recorded	carboxypeptidase inhibitor × 1 ZN ZINC ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.2M sodium cacodylate, 0.2M zinc acetate dihydrate, 7%(w/v) PEG 8000, 10%(w/v) dried dioxan, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 1.70 Å R-free 0.185

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 1ZLH	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1ARL CARBOXYPEPTIDASE A WITH ZN REMOVED Deposited 1994-11-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.88 Å
1ARM CARBOXYPEPTIDASE A WITH ZN REPLACED BY HG Deposited 1994-11-22	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–419（309 aa）	Not recorded	HG MERCURY (II) ION × 4 CU COPPER (II) ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.76 Å
1BAV CARBOXYPEPTIDASE A COMPLEXED WITH 2-BENZYL-3-IODO-PROPANOIC ACID (BIP) Deposited 1996-11-14	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–419（309 aa）	Not recorded	ZN ZINC ION × 1 BIP 2-BENZYL-3-IODOPROPANOIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.60 Å R-free 0.213
1BAV CARBOXYPEPTIDASE A COMPLEXED WITH 2-BENZYL-3-IODO-PROPANOIC ACID (BIP) Deposited 1996-11-14	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 111–419（309 aa）	Not recorded	ZN ZINC ION × 1 BIP 2-BENZYL-3-IODOPROPANOIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.60 Å R-free 0.213
1BAV CARBOXYPEPTIDASE A COMPLEXED WITH 2-BENZYL-3-IODO-PROPANOIC ACID (BIP) Deposited 1996-11-14	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 111–419（309 aa）	Not recorded	ZN ZINC ION × 1 BIP 2-BENZYL-3-IODOPROPANOIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.60 Å R-free 0.213
1BAV CARBOXYPEPTIDASE A COMPLEXED WITH 2-BENZYL-3-IODO-PROPANOIC ACID (BIP) Deposited 1996-11-14	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 111–419（309 aa）	Not recorded	ZN ZINC ION × 1 BIP 2-BENZYL-3-IODOPROPANOIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.60 Å R-free 0.213
1CBX CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CARBOXYPEPTIDASE A AND THE BIPRODUCT ANALOG INHIBITOR L-BENZYLSUCCINATE AT 2.0 ANGSTROMS RESOLUTION Deposited 1991-10-31	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 BZS L-BENZYLSUCCINIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
1CPS STRUCTURAL COMPARISON OF SULFODIIMINE AND SULFONAMIDE INHIBITORS IN THEIR COMPLEXES WITH ZINC ENZYMES Deposited 1992-02-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 CPM S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-S-METHANE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.25 Å
1CPX BETA FORM OF CARBOXYPEPTIDASE A (RESIDUES 3-307) FROM BOVINE PANCREAS IN AN ORTHORHOMBIC CRYSTAL FORM WITH TWO ZINC IONS IN THE ACTIVE SITE. Deposited 1998-07-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 2 OH HYDROXIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；CPA FROM SIGMA #C0261 WAS DISSOLVED IN 1.0 M LICL WITH 20 MM TRIS-HCL PH 7.5 TO GIVE 12 MG/ML AND USED WITHOUT FURTHER PURIFICATION. THIS PROTEIN SOLUTION WAS PLACED IN 50 MICROL DIALYSIS BUTTONS FROM HAMPTON RESEARCH AND DIALYZED AGAINST A 2 ML RESERVOIR OF THE ABOVE MENTIONED BUFFER WHILE LOWERING THE EXTERNAL LICL CONCENTRATION BY 25% EVERY OTHER DAY. THE CRYSTALS APPEARED A~0.24 M LICL AND WAS STORED AT 0.30M LICL. IF THIS PROCEDURE DOES NOT WORK BY ITSELF AND YOU END UP WITH THE MONOCLINIC ALPHA-FORM (1-307), YOU CAN TRY TO AD TRACES OF TRYPSIN (~10 MICROG/ML) TO THE PROTEIN SOLUTION TO PROVOKE FORMATION OF THE BETA-FORM (3-307), micro dialysis	Resolution 2.00 Å R-free 0.226
1EE3 Cadmium-substituted bovine pancreatic carboxypeptidase A (alfa-form) at pH 7.5 and 2 mM chloride in monoclinic crystal form Deposited 2000-01-30	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain P 111–419（309 aa）	Not recorded	CD CADMIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；293 K；Lithium Chloride, Tris-HNO3, Cadmium Chloride, pH 7.5, MICRODIALYSIS, temperature 293K	Resolution 1.70 Å R-free 0.198
1ELL CADMIUM-SUBSTITUTED BOVINE PANCREATIC CARBOXYPEPTIDASE A (ALFA-FORM) AT PH 7.5 AND 0.25 M CHLORIDE IN MONOCLINIC CRYSTAL FORM. Deposited 2000-03-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain P 111–419（309 aa） Fragment：ALFA-FORM	Not recorded	CD CADMIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；293 K；Lithium Chloride, Tris-HNO3, Cadmium Chloride, pH 7.5, MICRODIALYSIS, temperature 293K	Resolution 1.76 Å R-free 0.178
1ELM CADMIUM-SUBSTITUTED BOVINE PACREATIC CARBOXYPEPTIDASE A (ALFA-FORM) AT PH 5.5 AND 2 MM CHLORIDE IN MONOCLINIC CRYSTAL FORM. Deposited 2000-03-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain P 111–419（309 aa） Fragment：ALFA-FORM	Not recorded	CD CADMIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 5.5；293 K；Lithium chloride, Tris-HNO3, Cadmium chloride, pH 5.50, MICRODIALYSIS, temperature 293K	Resolution 2.00 Å R-free 0.186
1F57 CARBOXYPEPTIDASE A COMPLEX WITH D-CYSTEINE AT 1.75 A Deposited 2000-06-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 DCY D-CYSTEINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 6；291 K；LiCl, MES, pH 6.0, MICRODIALYSIS, temperature 18K	Resolution 1.75 Å R-free 0.164
1HDQ Crystal structure of bovine pancreatic carboxypeptidase A complexed with D-N-hydroxyaminocarbonyl phenylalanine at 2.3 A Deposited 2000-11-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	INF D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.50	Resolution 2.30 Å R-free 0.174
1HDU Crystal structure of bovine pancreatic carboxypeptidase A complexed with aminocarbonylphenylalanine at 1.75 A Deposited 2000-11-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 ING D-[(AMINO)CARBONYL]PHENYLALANINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.50	Resolution 1.75 Å R-free 0.229
1HDU Crystal structure of bovine pancreatic carboxypeptidase A complexed with aminocarbonylphenylalanine at 1.75 A Deposited 2000-11-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 ING D-[(AMINO)CARBONYL]PHENYLALANINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.50	Resolution 1.75 Å R-free 0.229
1HDU Crystal structure of bovine pancreatic carboxypeptidase A complexed with aminocarbonylphenylalanine at 1.75 A Deposited 2000-11-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 ING D-[(AMINO)CARBONYL]PHENYLALANINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.50	Resolution 1.75 Å R-free 0.229
1HDU Crystal structure of bovine pancreatic carboxypeptidase A complexed with aminocarbonylphenylalanine at 1.75 A Deposited 2000-11-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 ING D-[(AMINO)CARBONYL]PHENYLALANINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.50	Resolution 1.75 Å R-free 0.229
1HEE Crystal structure of bovine pancreatic carboxypeptidase A complexed with L-N-hydroxyaminocarbonyl phenylalanine at 2.3 A Deposited 2000-11-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 LHY L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.50	Resolution 1.75 Å R-free 0.229
1HEE Crystal structure of bovine pancreatic carboxypeptidase A complexed with L-N-hydroxyaminocarbonyl phenylalanine at 2.3 A Deposited 2000-11-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 LHY L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.50	Resolution 1.75 Å R-free 0.229
1HEE Crystal structure of bovine pancreatic carboxypeptidase A complexed with L-N-hydroxyaminocarbonyl phenylalanine at 2.3 A Deposited 2000-11-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 LHY L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.50	Resolution 1.75 Å R-free 0.229
1HEE Crystal structure of bovine pancreatic carboxypeptidase A complexed with L-N-hydroxyaminocarbonyl phenylalanine at 2.3 A Deposited 2000-11-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 LHY L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.50	Resolution 1.75 Å R-free 0.229
1IY7 Crystal Structure of CPA and sulfamide-based inhibitor complex Deposited 2002-07-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 CXA PHENYLALANINE-N-SULFONAMIDE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å R-free 0.208
1M4L STRUCTURE OF NATIVE CARBOXYPEPTIDASE A AT 1.25 RESOLUTION Deposited 2002-07-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.25 Å R-free 0.145
1PYT TERNARY COMPLEX OF PROCARBOXYPEPTIDASE A, PROPROTEINASE E, AND CHYMOTRYPSINOGEN C Deposited 1995-06-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 17–110（94 aa） Chain B 111–419（309 aa）	Not recorded	ZN ZINC ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.35 Å R-free 0.283
1YME STRUCTURE OF CARBOXYPEPTIDASE Deposited 1996-07-15	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–419（309 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.53 Å
2ABZ Crystal structure of C19A/C43A mutant of leech carboxypeptidase inhibitor in complex with bovine carboxypeptidase A Deposited 2005-07-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 111–419（309 aa） Chain B 111–419（309 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；1.5M Lithium Sulfate monohydrate, 100mM Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.16 Å R-free 0.234
2CTB THE HIGH RESOLUTION CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CARBOXYPEPTIDASE A AND L-PHENYL LACTATE Deposited 1993-04-02	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.50 Å
2CTC THE HIGH RESOLUTION CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CARBOXYPEPTIDASE A AND L-PHENYL LACTATE Deposited 1993-04-02	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 HFA ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.40 Å
3CPA X-RAY CRYSTALLOGRAPHIC INVESTIGATION OF SUBSTRATE BINDING TO CARBOXYPEPTIDASE A AT SUBZERO TEMPERATURE Deposited 1982-03-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	GLY GLYCINE × 1 TYR TYROSINE × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions THE COMPLEX WAS PREPARED BY DIFFUSION OF GLY-TYR INTO CPA CRYSTALS. THE OCCUPANCY OF THE GLY-TYR IS APPROXIMATELY FORTY PERCENT.	Resolution 2.00 Å
3FVL Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group Deposited 2009-01-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 111–417（307 aa） Fragment：residues 1-307 Chain C 111–417（307 aa） Fragment：residues 1-307 Chain E 111–417（307 aa） Fragment：residues 1-307	Not recorded	ZN ZINC ION × 3 BHK (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid × 3	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；277 K；0.02% glutaraldehyde, 0.15M lithium chloride, pH 7.5, temperature 277K, MICRODIALYSIS	Resolution 1.85 Å R-free 0.238
3FVL Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group Deposited 2009-01-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa） Fragment：residues 1-307	Not recorded	ZN ZINC ION × 1 BHK (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；277 K；0.02% glutaraldehyde, 0.15M lithium chloride, pH 7.5, temperature 277K, MICRODIALYSIS	Resolution 1.85 Å R-free 0.238
3FVL Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group Deposited 2009-01-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 111–417（307 aa） Fragment：residues 1-307	Not recorded	ZN ZINC ION × 1 BHK (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；277 K；0.02% glutaraldehyde, 0.15M lithium chloride, pH 7.5, temperature 277K, MICRODIALYSIS	Resolution 1.85 Å R-free 0.238
3FVL Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group Deposited 2009-01-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 111–417（307 aa） Fragment：residues 1-307	Not recorded	ZN ZINC ION × 1 BHK (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；277 K；0.02% glutaraldehyde, 0.15M lithium chloride, pH 7.5, temperature 277K, MICRODIALYSIS	Resolution 1.85 Å R-free 0.238
3FX6 X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the zinc-binding group Deposited 2009-01-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 111–417（307 aa） Chain C 111–417（307 aa） Chain E 111–417（307 aa）	Not recorded	ZN ZINC ION × 3 BPX (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid × 3	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；277 K；0.15M lithium chloride, 0.02% glutaraldehyde, 0.025M Tris, pH7.5, MICRODIALYSIS, temperature 277K	Resolution 1.85 Å R-free 0.239
3FX6 X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the zinc-binding group Deposited 2009-01-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 BPX (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；277 K；0.15M lithium chloride, 0.02% glutaraldehyde, 0.025M Tris, pH7.5, MICRODIALYSIS, temperature 277K	Resolution 1.85 Å R-free 0.239
3FX6 X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the zinc-binding group Deposited 2009-01-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 BPX (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；277 K；0.15M lithium chloride, 0.02% glutaraldehyde, 0.025M Tris, pH7.5, MICRODIALYSIS, temperature 277K	Resolution 1.85 Å R-free 0.239
3FX6 X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the zinc-binding group Deposited 2009-01-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 BPX (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICRODIALYSIS；pH 7.5；277 K；0.15M lithium chloride, 0.02% glutaraldehyde, 0.025M Tris, pH7.5, MICRODIALYSIS, temperature 277K	Resolution 1.85 Å R-free 0.239
3KGQ Carboxypeptidase A liganded to an organic small-molecule: conformational changes Deposited 2009-10-29	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–419（309 aa）	Not recorded	ZN ZINC ION × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 1 ACN ACETONE × 1 FMT FORMIC ACID × 3 GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；289 K；20% PEG 3350, 0.2M NH4Cl, 0.02M Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K	Resolution 1.70 Å R-free 0.204
4CPA REFINED CRYSTAL STRUCTURE OF THE POTATO INHIBITOR COMPLEX OF CARBOXYPEPTIDASE A AT 2.5 ANGSTROMS RESOLUTION Deposited 1982-03-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 111–417（307 aa）	Not recorded	GLY GLYCINE × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.50 Å
4CPA REFINED CRYSTAL STRUCTURE OF THE POTATO INHIBITOR COMPLEX OF CARBOXYPEPTIDASE A AT 2.5 ANGSTROMS RESOLUTION Deposited 1982-03-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 111–417（307 aa）	Not recorded	GLY GLYCINE × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.50 Å
5CPA REFINED CRYSTAL STRUCTURE OF CARBOXYPEPTIDASE A AT 1.54 ANGSTROMS RESOLUTION. Deposited 1982-05-06	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.54 Å
6CPA CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES Deposited 1990-02-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 ZAF O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
7CPA COMPARISON OF THE STRUCTURES OF THREE CARBOXYPEPTIDASE A-PHOSPHONATE COMPLEXES DETERMINED BY X-RAY CRYSTALLOGRAPHY Deposited 1991-05-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 FVF O-((((N-PHENYL-METHOXY-CARBONYL)-PHENYL ALANYL-CARBONYL)AMINO)-ISOBUTYL)HYDROXY PHOSPHINYL)-3-PHENYLACETIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
8CPA COMPARISON OF THE STRUCTURES OF THREE CARBOXYPEPTIDASE A-PHOSPHONATE COMPLEXES DETERMINED BY X-RAY CRYSTALLOGRAPHY Deposited 1991-05-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–417（307 aa）	Not recorded	ZN ZINC ION × 1 AGF O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å

29 other PDB entries and 45 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	CBPA_BOVIN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–309； UniProt 111–419

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	1zlh
Deposition date deposition_date	2005-05-06
Structure title title	Crystal structure of the tick carboxypeptidase inhibitor in complex with bovine carboxypeptidase A
Keywords keywords	;inhibitor-metallocarboxypeptidase complex, beta-defensin fold (TCI), eight-stranded twisted beta-sheet surrounded by eight alpha-helices (CPA), HYDROLASE-HYDROLASE INHIBITOR COMPLEX ;; HYDROLASE/HYDROLASE INHIBITOR
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	20.72 Å
Radius of gyration Rg (electron density) rg_electron	19.50 Å
Forward intensity I(0) i0	29750700.00
Molecular weight molecular_weight	41512.0 kDa
Excluded volume excluded_volume	51569 Å³
Envelope volume envelope_volume	56643 Å³
Hydration-shell volume shell_volume	23547 Å³
Envelope diameter envelope_diameter	70.5 Å
Shell Rg shell_rg	26.86 Å
Envelope Rg envelope_rg	19.77 Å
Shape Rg shape_rg	19.44 Å
Total Rg total_rg	20.56 Å
Total atoms total_atoms	2906
Residues n_residues	375
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	69.4 Å
Rg (real space) rg_real	20.58 Å
Rg uncertainty (real space) rg_real_error	0.38 Å
I(0) (real space) i0_real	2.9750e+07
I(0) uncertainty (real space) i0_real_error	3.7180e+05
Rg (reciprocal space) rg_reciprocal	20.61 Å
I(0) (reciprocal space) i0_reciprocal	29750000.0000
Solution quality estimate total_estimate	0.8705
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	27.2 Å
Skewness Skewness skewness	0.160
Kurtosis Kurtosis kurtosis	-0.366
Angular range angular_range	— – 0.3850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	7209000.0000
Real-space data points n_real_points	70
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.772; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 1.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	Carboxypeptidase A1
Molecular weight formula_weight	34721.8 kDa
EC 编号 ec_number	3.4.17.1
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	3285

ARSTNTFNYATYHTLDEIYDFMDLLVAEHPQLVSKLQIGRSYEGRPIYVLKFSTGGSNRPAIWIDLGIHSREWITQATGVWFAKKFTEDYGQDPSFTAILDSMDIFLEIVTNPDGFAFTHSQNRLWRKTRSVTSSSLCVGVDANRNWDAGFGKAGASSSPCSETYHGKYANSEVEVKSIVDFVKDHGNFKAFLSIHSYSQLLLYPYGYTTQSIPDKTELNQVAKSAVAALKSLYGTSYKYGSIITTIYQASGGSIDWSYNQGIKYSFTFELRDTGRYGFLLPASQIIPTAQETWLGVLTIMEHTVNNLY

来源 Source

来源生物 organism	Bos taurus
通用名 common_name	cattle
NCBI Class编号 ncbi_taxonomy_id	9913
宿主生物 host_organism	Pichia pastoris

Entity 2 Entity 2 polymer

Description description	carboxypeptidase inhibitor
Molecular weight formula_weight	7945.1 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

NECVSKGFGCLPQSDCPQEARLSYGGCSTVCCDLSKLTGCKGKGGECNPLDRQCKELQAESASCGKGQKCCVWLH

来源 Source

来源生物 organism	Rhipicephalus bursa
NCBI Class编号 ncbi_taxonomy_id	67831
宿主生物 host_organism	Escherichia coli BL21

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	5

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	379

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7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d1zlha_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.56 — Phosphorylase/hydrolase-like
Superfamily Superfamily superfamily	c.56.5 — Zn-dependent exopeptidases
Family Family family	c.56.5.1 — Pancreatic carboxypeptidases

Domain ID domain_id	d1zlhb1
Class class	g — Small proteins
Fold Fold fold	g.9 — Defensin-like
Superfamily Superfamily superfamily	g.9.1 — Defensin-like
Family Family family	g.9.1.3 — Tick carboxypeptidase inhibitor-like

Domain ID domain_id	d1zlhb2
Class class	g — Small proteins
Fold Fold fold	g.9 — Defensin-like
Superfamily Superfamily superfamily	g.9.1 — Defensin-like
Family Family family	g.9.1.3 — Tick carboxypeptidase inhibitor-like

CATH v4.4 (3 domains)

Domain ID domain_id	1zlhA00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	630 — Aminopeptidase
Homologous superfamily homologous superfamily	10 — Zn peptidases

Domain ID domain_id	1zlhB01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1680 — ligand-binding face of the semaphorins, domain 2
Homologous superfamily homologous superfamily	50 — Carboxypeptidase inhibitor, N-terminal domain

Domain ID domain_id	1zlhB02
Class class	2 — Mainly Beta
Architecture architecture	20 — Single Sheet
Topology topology	20 — Anthopleurin-A
Homologous superfamily homologous superfamily	10 — Anthopleurin-A

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8. Citations (2)

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Unit-cell length a length_a	47.070 Å
Unit-cell length b length_b	68.600 Å
Unit-cell length c length_c	57.890 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	104.72 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	2

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	1.700 Å
Low-resolution limit resolution_low	55.900 Å
R factor r_factor	0.1556
R_work r_work	0.1540
R_free r_free	0.1853

fit	/app/data/saxs_computation/zl/1zlh/1zlh.fit
pddf	/app/data/pr_computation/zl/1zlh/1zlh.pr.out
profile	/app/data/saxs_computation/zl/1zlh/1zlh.dat

Crystal structure of the tick carboxypeptidase inhibitor in complex with bovine carboxypeptidase A

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

Carboxypeptidase A1

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

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

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

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

8. Citations (2)

9. Files and Curves (10)

Files (7)

Curves (3)