SAXSdb — 4mq3

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

Integrase

Feline immunodeficiency virus

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 904–1031	Fragment：Catalytic Core Domain Mutation：F1030K	No other associated polymer	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

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 4MQ3	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 oligomeric state 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 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 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 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 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 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
2HAH The structure of FIV 12S protease in complex with TL-3 Deposited 2006-06-12	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 39–154（116 aa） 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
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 oligomeric state 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 oligomeric state 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 oligomeric state 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
4PA1 Crystal Structure of Catalytic Core domain of FIV Integrase Deposited 2014-04-07	Different construct Different mutation/modification 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 oligomeric state 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 oligomeric state 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 oligomeric state 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	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 oligomeric state 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 5–132； UniProt 904–1031

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	4mq3
Deposition date deposition_date	2013-09-15
Structure title title	The 1.1 Angstrom Structure of Catalytic Core Domain of FIV Integrase
Keywords keywords	alpha beta, Ribonuclease-H like motif, Nucleotidyltransferase, VIRAL PROTEIN; VIRAL PROTEIN
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	15.48 Å
Radius of gyration Rg (electron density) rg_electron	14.36 Å
Forward intensity I(0) i0	3999560.00
Molecular weight molecular_weight	14352.0 kDa
Excluded volume excluded_volume	18061 Å³
Envelope volume envelope_volume	20343 Å³
Hydration-shell volume shell_volume	12203 Å³
Envelope diameter envelope_diameter	49.9 Å
Shell Rg shell_rg	20.02 Å
Envelope Rg envelope_rg	14.65 Å
Shape Rg shape_rg	14.35 Å
Total Rg total_rg	15.56 Å
Total atoms total_atoms	1009
Residues n_residues	129
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	52.1 Å
Rg (real space) rg_real	15.42 Å
Rg uncertainty (real space) rg_real_error	0.35 Å
I(0) (real space) i0_real	4.0000e+06
I(0) uncertainty (real space) i0_real_error	4.7250e+04
Rg (reciprocal space) rg_reciprocal	15.43 Å
I(0) (reciprocal space) i0_reciprocal	4000000.0000
Solution quality estimate total_estimate	0.7908
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	19.8 Å
Skewness Skewness skewness	0.239
Kurtosis Kurtosis kurtosis	-0.240
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	722600.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.764; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id	4mq3A00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily	10 — Ribonuclease H-like superfamily/Ribonuclease H

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8. Citations (1)

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Unit-cell length a length_a	28.254 Å
Unit-cell length b length_b	66.643 Å
Unit-cell length c length_c	32.619 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	103.43 °
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	1.080 Å
Low-resolution limit resolution_low	33.320 Å
R factor r_factor	0.1417
R_work r_work	0.1399
R_free r_free	0.1765

Description description	Integrase
Molecular weight formula_weight	14667.8 kDa
Mutation mutation	F1030K
Source method src_method	man
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1195

The 1.1 Angstrom Structure of Catalytic Core Domain of FIV Integrase

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

Integrase

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 (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 water

7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Feline immunodeficiency virus
通用名 common_name	FIV
NCBI Class编号 ncbi_taxonomy_id	11674
宿主生物 host_organism	Escherichia coli

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	186

fit	/app/data/saxs_computation/mq/4mq3/4mq3.fit
pddf	/app/data/pr_computation/mq/4mq3/4mq3.pr.out
profile	/app/data/saxs_computation/mq/4mq3/4mq3.dat