SAXSdb — 2hah

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

Protease

Feline immunodeficiency virus (isolate Petaluma)

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 39–154	Fragment：residues 39-154 Mutation：I37V, N55M, M56I, I57G, V59I, G62F, K63I, L97T, I98P, Q99V, P100N, L101I	3TL benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；281.16 K；100mM Hepes, 2.5M LiCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 281.16K	Resolution 1.70 Å R-free 0.233

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 2HAH	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1B11 STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093 Deposited 1998-11-25	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 42–154（113 aa）	Not recorded	SO4 SULFATE ION × 4 3TL benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5；SAMPLE: 3.4MG/ML FIVPR IN 25MM IMIDAZOL BUFFER AT PH 7.0 WITH 1MM EDTA AND 10MM DTT. WELL SOLUTION: 1.6M AMMONIUM SULFATE IN SODIUM ACETATE BUFFER AT PH 4.5 MIXING SAMPLE AND WELL SOLLUTION 1:1, pH 5.0	Resolution 1.90 Å R-free 0.251
1DUT FIV DUTP PYROPHOSPHATASE Deposited 1996-09-15	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 711–843（133 aa）	Not recorded	MG MAGNESIUM ION × 3	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.90 Å R-free 0.249
1DUT FIV DUTP PYROPHOSPHATASE Deposited 1996-09-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain B 711–843（133 aa）	Not recorded	MG MAGNESIUM ION × 3	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.90 Å R-free 0.249
1F7D CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS Deposited 2000-06-26	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 711–846（136 aa） Fragment：DUTPASE	Not recorded	MG MAGNESIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50mM Sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.40 Å R-free 0.218
1F7D CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS Deposited 2000-06-26	Different construct Different mutation/modification 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 711–846（136 aa） Fragment：DUTPASE	Not recorded	MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50mM Sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.40 Å R-free 0.218
1F7D CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS Deposited 2000-06-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain B 711–846（136 aa） Fragment：DUTPASE	Not recorded	MG MAGNESIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50mM Sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 1.40 Å R-free 0.218
1F7K CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 711–846（136 aa） Fragment：DUTPASE	Not recorded	MG MAGNESIUM ION × 6 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM cacodylate and the crystals were soaked in 5 mM dUMP overnight, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.20 Å
1F7K CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27	Different construct Different mutation/modification 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 711–846（136 aa） Fragment：DUTPASE	Not recorded	MG MAGNESIUM ION × 1 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM cacodylate and the crystals were soaked in 5 mM dUMP overnight, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.20 Å
1F7K CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain B 711–846（136 aa） Fragment：DUTPASE	Not recorded	MG MAGNESIUM ION × 3 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM cacodylate and the crystals were soaked in 5 mM dUMP overnight, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.20 Å
1F7N CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 711–846（136 aa） Fragment：DUTPASE	Not recorded	MG MAGNESIUM ION × 6 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM Cacodylate. The crystals were soaked in 10 mM dUTP for 24 hrs, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.20 Å
1F7N CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27	Different construct Different mutation/modification 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 711–846（136 aa） Fragment：DUTPASE	Not recorded	MG MAGNESIUM ION × 1 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM Cacodylate. The crystals were soaked in 10 mM dUTP for 24 hrs, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.20 Å
1F7N CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain B 711–846（136 aa） Fragment：DUTPASE	Not recorded	MG MAGNESIUM ION × 3 UMP 2'-DEOXYURIDINE 5'-MONOPHOSPHATE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；13% MPEG 5K, 50 mM Cacodylate. The crystals were soaked in 10 mM dUTP for 24 hrs, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.20 Å
1F7O CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 711–846（136 aa） Fragment：DUTPASE Chain B 711–846（136 aa） Fragment：DUTPASE Chain C 711–846（136 aa） Fragment：DUTPASE	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；1.0M Sodium citrate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.20 Å R-free 0.286
1F7P CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 711–846（136 aa） Fragment：DUTPASE Chain B 711–846（136 aa） Fragment：DUTPASE Chain C 711–846（136 aa） Fragment：DUTPASE	Not recorded	UDP URIDINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；1.0M Sodium citrate pH 6.5. The crystals were soaked in 10 mM dUDP for 17 hrs, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.30 Å
1F7Q CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 711–846（136 aa） Fragment：DUTPASE Chain B 711–846（136 aa） Fragment：DUTPASE Chain C 711–846（136 aa） Fragment：DUTPASE	Not recorded	DUT DEOXYURIDINE-5'-TRIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；1.0M Sodium citrate pH 6.5. The crystals were soaked in 10 mM dUDP for 24 hrs, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.26 Å
1F7R CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. Deposited 2000-06-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 711–846（136 aa） Fragment：DUTPASE	Not recorded	MG MAGNESIUM ION × 3 UDP URIDINE-5'-DIPHOSPHATE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；1.25 M sodium citrate. The protein solution was incubated with 25 mM dUDP prior to crystallization experiments., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.50 Å
1FIV STRUCTURE OF AN INHIBITOR COMPLEX OF PROTEINASE FROM FELINE IMMUNODEFICIENCY VIRUS Deposited 1995-05-04	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 42–154（113 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
2FIV Crystal structure of feline immunodeficiency virus protease complexed with a substrate Deposited 1997-07-21	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 39–154（116 aa） Chain B 39–154（116 aa）	Mutation：D30N Mutation：D30N	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；PROTEIN WAS CRYSTALLIZED FROM 2.0 MOLAR AMMONIUM SULFATE, 0.1 M SODIUM ACETATE PH=5.6.	Resolution 2.00 Å
3FIV CRYSTAL STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH A SUBSTRATE Deposited 1997-07-09	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 39–154（116 aa） Chain B 39–154（116 aa）	Mutation：D30N Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D30N Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；PROTEIN WAS CRYSTALLIZED FROM 2.0 M AMMONIUM SULFATE, 0.1 M SODIUM ACETATE, PH=5.6. PROTEIN CONCENTRATION, 5.0 MG/ML. CRYSTALLIZATION METHOD: HANGING DROP VAPOR DIFFUSION	Resolution 1.85 Å
3OGP Crystal Structure of 6s-98S FIV Protease with Darunavir bound Deposited 2010-08-17	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 39–154（116 aa） Fragment：UNP residues 39-154 Chain B 39–154（116 aa） Fragment：UNP residues 39-154	Mutation：I37V, N55M, V59I, I98S, Q99V, P100N Mutation：I37V, N55M, V59I, I98S, Q99V, P100N	017 (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.70 Å R-free 0.229
3OGQ Crystal Structure of 6s-98S FIV Protease with Lopinavir bound Deposited 2010-08-17	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 39–154（116 aa） Fragment：UNP residues 39-154 Chain B 39–154（116 aa） Fragment：UNP residues 39-154	Mutation：I37V, N55M, V59I, I98S, Q99V, P100N Mutation：I37V, N55M, V59I, I98S, Q99V, P100N	AB1 N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE × 1 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.80 Å R-free 0.279
4FIV FIV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 Deposited 1998-07-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 42–154（113 aa）	Not recorded	LP1 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.2；pH 7.2	Resolution 1.80 Å
4MQ3 The 1.1 Angstrom Structure of Catalytic Core Domain of FIV Integrase Deposited 2013-09-15	Different construct Different mutation/modification 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 904–1031（128 aa） Fragment：Catalytic Core Domain	Mutation：F1030K	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0.2M Trimethylamine N-oxide, 0.1M Tris pH 8.5, 20% PEG MME 2000, VAPOR DIFFUSION, temperature 293K X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；0.2M Ammonium acetate, 0.1M Bis-Tris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, temperature 293K	Resolution 1.08 Å R-free 0.176
4PA1 Crystal Structure of Catalytic Core domain of FIV Integrase Deposited 2014-04-07	Different construct Different mutation/modification 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 904–1052（149 aa） Fragment：catalytic domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 4000, 200 mM MgCl2, 100 mM TrisHCl pH 8.5	Resolution 1.84 Å R-free 0.222
4PA1 Crystal Structure of Catalytic Core domain of FIV Integrase Deposited 2014-04-07	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 904–1052（149 aa） Fragment：catalytic domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 4000, 200 mM MgCl2, 100 mM TrisHCl pH 8.5	Resolution 1.84 Å R-free 0.222
4PA1 Crystal Structure of Catalytic Core domain of FIV Integrase Deposited 2014-04-07	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 904–1052（149 aa） Fragment：catalytic domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 4000, 200 mM MgCl2, 100 mM TrisHCl pH 8.5	Resolution 1.84 Å R-free 0.222
5FIV STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR Deposited 1998-12-02	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 42–154（113 aa）	Not recorded	3TL benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5；SAMPLE: 3.4MG/ML V59I IN 25MM IMIDAZOL BUFFER AT PH 7.0 WITH 1MM EDTA AND 10MM DTT. WELL SOLUTION: 1.6M AMMONIUM SULFATE IN SODIUM ACETATE BUFFER AT PH 4.5 MIXING SAMPLE AND WELL SOLLUTION 1:1, pH 5.0	Resolution 1.90 Å R-free 0.240
6FIV STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR Deposited 1998-12-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 42–154（113 aa）	Not recorded	SO4 SULFATE ION × 2 3TL benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5；SAMPLE: 3.4MG/ML Q99V IN 25MM IMIDAZOL BUFFER AT PH 7.0 WITH 1MM EDTA AND 10MM DTT. WELL SOLUTION: 1.6M AMMONIUM SULFATE IN SODIUM ACETATE BUFFER AT PH 4.5 MIXING SAMPLE AND WELL SOLLUTION 1:1, pH 5.0	Resolution 1.90 Å R-free 0.266

19 other PDB entries and 28 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	POL_FIVPE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–116； UniProt 39–154

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	2hah
Deposition date deposition_date	2006-06-12
Structure title title	The structure of FIV 12S protease in complex with TL-3
Keywords keywords	retroviral, protease, aspartyl, feline, 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	15.20 Å
Radius of gyration Rg (electron density) rg_electron	13.82 Å
Forward intensity I(0) i0	3435360.00
Molecular weight molecular_weight	13162.0 kDa
Excluded volume excluded_volume	16590 Å³
Envelope volume envelope_volume	19151 Å³
Hydration-shell volume shell_volume	11856 Å³
Envelope diameter envelope_diameter	46.1 Å
Shell Rg shell_rg	19.52 Å
Envelope Rg envelope_rg	14.16 Å
Shape Rg shape_rg	13.79 Å
Total Rg total_rg	15.16 Å
Total atoms total_atoms	925
Residues n_residues	112
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	51.5 Å
Rg (real space) rg_real	15.14 Å
Rg uncertainty (real space) rg_real_error	0.18 Å
I(0) (real space) i0_real	3.4350e+06
I(0) uncertainty (real space) i0_real_error	3.6630e+04
Rg (reciprocal space) rg_reciprocal	15.13 Å
I(0) (reciprocal space) i0_reciprocal	3435000.0000
Solution quality estimate total_estimate	0.6326
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	18.3 Å
Skewness Skewness skewness	0.208
Kurtosis Kurtosis kurtosis	-0.328
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.2348
Highest regularization parameter α highest_alpha	834600.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.740; Stabil: 1.000; Sysdev: 0.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.998

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Protease
Molecular weight formula_weight	13226.2 kDa
EC 编号 ec_number	3.4.23.16
Mutation mutation	I37V, N55M, M56I, I57G, V59I, G62F, K63I, L97T, I98P, Q99V, P100N, L101I
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	1134

YNKVGTTTTLEKRPEILIFVNGYPIKFLLDTGADITVLNRRDFQVKNSIENGRQMIGGIGGFIRGTNYINVHLEIRDENYKTQCIFGNVCVLEDNSTPVNILGRDNMIKFNIRLVM

来源 Source

来源生物 organism	Feline immunodeficiency virus (isolate Petaluma)
NCBI Class编号 ncbi_taxonomy_id	11674
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	;benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate ;
Molecular weight formula_weight	909.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	120

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d2haha_
Class class	b — All beta proteins
Fold Fold fold	b.50 — Acid proteases
Superfamily Superfamily superfamily	b.50.1 — Acid proteases
Family Family family	b.50.1.1 — Retroviral protease (retropepsin)

CATH v4.4 (1 domains)

Domain ID domain_id	2hahA00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	70 — Cathepsin D, subunit A; domain 1
Homologous superfamily homologous superfamily	10 — Acid Proteases

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8. Citations (1)

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Unit-cell length a length_a	50.324 Å
Unit-cell length b length_b	50.324 Å
Unit-cell length c length_c	74.161 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	6

Space group space_group	P 31 2 1
Space-group number int_tables_number	152
Crystal system crystal_system	—

Resolution resolution	1.700 Å
Low-resolution limit resolution_low	74.000 Å
R factor r_factor	0.2330
R_work r_work	0.1840
R_free r_free	0.2330

fit	/app/data/saxs_computation/ha/2hah/2hah.fit
pddf	/app/data/pr_computation/ha/2hah/2hah.pr.out
profile	/app/data/saxs_computation/ha/2hah/2hah.dat

The structure of FIV 12S protease in complex with TL-3

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

Protease

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