SAXSdb — 4i5r

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

Chimeric cel6A

Trichoderma reesei

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 158–331 Chain A； UniProt 425–471	Not recorded	PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 5 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5.75；pH 5.75, VAPOR DIFFUSION, SITTING DROP	Resolution 1.50 Å R-free 0.181

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 4I5R	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1CB2 CELLOBIOHYDROLASE II, CATALYTIC DOMAIN, MUTANT Y169F Deposited 1995-11-25	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 107–471（365 aa） Fragment：CATALYTIC	Mutation：Y169F	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å R-free 0.232
1CB2 CELLOBIOHYDROLASE II, CATALYTIC DOMAIN, MUTANT Y169F Deposited 1995-11-25	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 107–471（365 aa） Fragment：CATALYTIC	Mutation：Y169F	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å R-free 0.232
1HGW CEL6A D175A mutant Deposited 2000-12-15	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 107–471（365 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 83-447	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7 CO COBALT (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG6000, 20MM MES BUFFER PH 10MM COCL2.	Resolution 2.10 Å R-free 0.225
1HGW CEL6A D175A mutant Deposited 2000-12-15	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 107–471（365 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 83-447	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG6000, 20MM MES BUFFER PH 10MM COCL2.	Resolution 2.10 Å R-free 0.225
1HGY CEL6A D221A mutant Deposited 2000-12-15	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 107–471（365 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 83-447	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 6 BMA beta-D-mannopyranose × 1 GLC alpha-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG6000, 10MM MES BUFFER., pH 6.00	Resolution 2.20 Å R-free 0.258
1HGY CEL6A D221A mutant Deposited 2000-12-15	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 107–471（365 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 83-447	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG6000, 10MM MES BUFFER., pH 6.00	Resolution 2.20 Å R-free 0.258
1QJW CEL6A (Y169F) WITH A NON-HYDROLYSABLE CELLOTETRAOSE Deposited 1999-07-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 107–471（365 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 83-447	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7 CD CADMIUM ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；20% PEG6000, 20MM MES BUFFER PH6.0, 10MM CDCL2., pH 6.00	Resolution 1.90 Å R-free 0.208
1QJW CEL6A (Y169F) WITH A NON-HYDROLYSABLE CELLOTETRAOSE Deposited 1999-07-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain B 107–471（365 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 83-447	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7 CD CADMIUM ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；20% PEG6000, 20MM MES BUFFER PH6.0, 10MM CDCL2., pH 6.00	Resolution 1.90 Å R-free 0.208
1QK0 CEL6A WITH A NON-HYDROLYSABLE CELLOTETRAOSE Deposited 1999-07-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 85-447	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7 CO COBALT (II) ION × 1 IOB 3-IODO-BENZYL ALCOHOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；20% PEG6000, 20MM MES BUFFER PH6.0, 10MM COCL2., pH 6.00	Resolution 2.10 Å R-free 0.221
1QK0 CEL6A WITH A NON-HYDROLYSABLE CELLOTETRAOSE Deposited 1999-07-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain B 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 85-447	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7 CO COBALT (II) ION × 1 IOB 3-IODO-BENZYL ALCOHOL × 1 IOD IODIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；20% PEG6000, 20MM MES BUFFER PH6.0, 10MM COCL2., pH 6.00	Resolution 2.10 Å R-free 0.221
1QK2 WILD TYPE CEL6A WITH A NON-HYDROLYSABLE CELLOTETRAOSE Deposited 1999-07-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 85-447	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；20% PEG6000, 20MM MES BUFFER PH6.0, 10MM COCL2., pH 6.00	Resolution 2.00 Å R-free 0.222
1QK2 WILD TYPE CEL6A WITH A NON-HYDROLYSABLE CELLOTETRAOSE Deposited 1999-07-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain B 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 85-447	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；20% PEG6000, 20MM MES BUFFER PH6.0, 10MM COCL2., pH 6.00	Resolution 2.00 Å R-free 0.222
3CBH THREE-DIMENSIONAL STRUCTURE OF CELLOBIOHYDROLASE FROM TRICHODERMA REESEI Deposited 1990-08-06	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 107–471（365 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
4AU0 Hypocrea jecorina Cel6A D221A mutant soaked with 6-chloro-4- methylumbelliferyl-beta-cellobioside Deposited 2012-05-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 109-471	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 8 XZZ 6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG5000 MONOMETHYL ETHER, 20MM NA -MES BUFFER PH6.0	Resolution 1.70 Å R-free 0.235
4AU0 Hypocrea jecorina Cel6A D221A mutant soaked with 6-chloro-4- methylumbelliferyl-beta-cellobioside Deposited 2012-05-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain B 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 109-471	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7 XZZ 6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one × 1 BGC beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG5000 MONOMETHYL ETHER, 20MM NA -MES BUFFER PH6.0	Resolution 1.70 Å R-free 0.235
4AX6 HYPOCREA JECORINA CEL6A D221A MUTANT SOAKED WITH 6-CHLORO-4- PHENYLUMBELLIFERYL-BETA-CELLOBIOSIDE Deposited 2012-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 109-471	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7 UWU 6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG 5000 MONOMETHYL ETHER (FLUKA) AND 20 MM SODIUM MES BUFFER, PH 6.0	Resolution 2.30 Å R-free 0.254
4AX6 HYPOCREA JECORINA CEL6A D221A MUTANT SOAKED WITH 6-CHLORO-4- PHENYLUMBELLIFERYL-BETA-CELLOBIOSIDE Deposited 2012-06-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain B 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 109-471	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 5 UWU 6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG 5000 MONOMETHYL ETHER (FLUKA) AND 20 MM SODIUM MES BUFFER, PH 6.0	Resolution 2.30 Å R-free 0.254
4AX7 Hypocrea jecorina Cel6A D221A mutant soaked with 4-Methylumbelliferyl- beta-D-cellobioside Deposited 2012-06-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 109-471	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7 4MU 7-hydroxy-4-methyl-2H-chromen-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG 5000 MONOMETHYL ETHER (FLUKA) AND 20 MM SODIUM MES BUFFER, PH 6.0	Resolution 1.70 Å R-free 0.221
4AX7 Hypocrea jecorina Cel6A D221A mutant soaked with 4-Methylumbelliferyl- beta-D-cellobioside Deposited 2012-06-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain B 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 109-471	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7 4MU 7-hydroxy-4-methyl-2H-chromen-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG 5000 MONOMETHYL ETHER (FLUKA) AND 20 MM SODIUM MES BUFFER, PH 6.0	Resolution 1.70 Å R-free 0.221
4AX7 Hypocrea jecorina Cel6A D221A mutant soaked with 4-Methylumbelliferyl- beta-D-cellobioside Deposited 2012-06-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain C 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 109-471	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 6 4MU 7-hydroxy-4-methyl-2H-chromen-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG 5000 MONOMETHYL ETHER (FLUKA) AND 20 MM SODIUM MES BUFFER, PH 6.0	Resolution 1.70 Å R-free 0.221
4AX7 Hypocrea jecorina Cel6A D221A mutant soaked with 4-Methylumbelliferyl- beta-D-cellobioside Deposited 2012-06-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain D 109–471（363 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 109-471	Mutation：YES	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MAN alpha-D-mannopyranose × 7 4MU 7-hydroxy-4-methyl-2H-chromen-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG 5000 MONOMETHYL ETHER (FLUKA) AND 20 MM SODIUM MES BUFFER, PH 6.0	Resolution 1.70 Å R-free 0.221
4I5U Crystal structure of a fungal chimeric cellobiohydrolase Cel6A Deposited 2012-11-29	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 158–331（174 aa） Chain A 425–471（47 aa）	Not recorded	ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 10 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；pH 6.0, VAPOR DIFFUSION, SITTING DROP	Resolution 1.22 Å R-free 0.158

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

View Construct and Data Evidence

UniProt name	GUX2_HYPJE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 46–219； UniProt 158–331 Author chain A； PDBConstruct 312–358； UniProt 425–471

Chimeric cel6A

Trichoderma reesei

UniProt Q5G2D4

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 339–430	Not recorded	PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 5 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5.75；pH 5.75, VAPOR DIFFUSION, SITTING DROP	Resolution 1.50 Å R-free 0.181

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 4I5R	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
4I5U Crystal structure of a fungal chimeric cellobiohydrolase Cel6A Deposited 2012-11-29	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 339–430（92 aa）	Not recorded	ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 10 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；pH 6.0, VAPOR DIFFUSION, SITTING DROP	Resolution 1.22 Å R-free 0.158

1 other PDB entries and 1 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	Q5G2D4_9PEZI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 220–311； UniProt 339–430

Chimeric cel6A

Trichoderma reesei

UniProt Q9C1S9

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 117–161	Not recorded	PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 5 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5.75；pH 5.75, VAPOR DIFFUSION, SITTING DROP	Resolution 1.50 Å R-free 0.181

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 4I5R	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1BVW CELLOBIOHYDROLASE II (CEL6A) FROM HUMICOLA INSOLENS Deposited 1998-09-19	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 91–450（360 aa） Fragment：CATALYTIC CORE DOMAIN RESIDUES 91-450	Not recorded	MAN alpha-D-mannopyranose × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；PROTEIN WAS CONCENTRATED TO 20 MG/ML IN WATER. CRYSTALLISATION IN 200MM MAGNESIUM ACETATE IN 100MM TRIETHANOLAMINE BUFFER AT PH 7.0. PRECIPITANT WAS 22%. POLYETHYLENE GLYCOL 8000.	Resolution 1.92 Å R-free 0.210
2BVW CELLOBIOHYDROLASE II (CEL6A) FROM HUMICOLA INSOLENS IN COMPLEX WITH GLUCOSE AND CELLOTETRAOSE Deposited 1999-02-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain A 115–476（362 aa） Fragment：CATALYTIC CORE DOMAIN	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BGC beta-D-glucopyranose × 1 GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；pH 4.6	Resolution 1.70 Å R-free 0.226
2BVW CELLOBIOHYDROLASE II (CEL6A) FROM HUMICOLA INSOLENS IN COMPLEX WITH GLUCOSE AND CELLOTETRAOSE Deposited 1999-02-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric	Chain B 115–476（362 aa） Fragment：CATALYTIC CORE DOMAIN	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 BGC beta-D-glucopyranose × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；pH 4.6	Resolution 1.70 Å R-free 0.226
4I5U Crystal structure of a fungal chimeric cellobiohydrolase Cel6A Deposited 2012-11-29	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 117–161（45 aa）	Not recorded	ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 10 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；pH 6.0, VAPOR DIFFUSION, SITTING DROP	Resolution 1.22 Å R-free 0.158

3 other PDB entries and 4 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	GUX6_HUMIN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–45； UniProt 117–161

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	4i5r
Deposition date deposition_date	2012-11-28
Structure title title	Crystal structure of a fungal chimeric cellobiohydrolase Cel6A
Keywords keywords	cellobiohydrolase, chimera protein, glycoside hydrolase, 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	20.71 Å
Radius of gyration Rg (electron density) rg_electron	19.44 Å
Forward intensity I(0) i0	27939100.00
Molecular weight molecular_weight	39936.0 kDa
Excluded volume excluded_volume	49596 Å³
Envelope volume envelope_volume	56630 Å³
Hydration-shell volume shell_volume	23484 Å³
Envelope diameter envelope_diameter	68.4 Å
Shell Rg shell_rg	26.75 Å
Envelope Rg envelope_rg	19.82 Å
Shape Rg shape_rg	19.42 Å
Total Rg total_rg	20.41 Å
Total atoms total_atoms	2824
Residues n_residues	364
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	65.2 Å
Rg (real space) rg_real	20.56 Å
Rg uncertainty (real space) rg_real_error	0.36 Å
I(0) (real space) i0_real	2.7940e+07
I(0) uncertainty (real space) i0_real_error	3.5010e+05
Rg (reciprocal space) rg_reciprocal	20.59 Å
I(0) (reciprocal space) i0_reciprocal	27940000.0000
Solution quality estimate total_estimate	0.8040
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	27.4 Å
Skewness Skewness skewness	0.111
Kurtosis Kurtosis kurtosis	-0.353
Angular range angular_range	— – 0.3850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	6754000.0000
Real-space data points n_real_points	70
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.824; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	Chimeric cel6A
Molecular weight formula_weight	39771.1 kDa
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	3175

GNPFEGVQLWANNYYRSEVHTLAIPQITDPALRAAASAVAEVPSFMWLDTLDKTPLMEQTLADIRTANKNGGNYAGQFVVYDLPDRDCAALASNGEYSIADGGVAKYKNYIDTIRQIVVEYSDIRTLLVIEPDSLANLVTNLGTPKCANAQSAYLECINYAVTQLNLPNVAMYLDAGHAGWLGWPANQDPAAQLFANVYKNASSPRALRGLATNVANYNAWSIASPPSYTSPNPNYDEKHYIEAFAPLLRNQGFDAKFIVDTGRNGKQPTGQLEWGHWCNVKGTGFGVRPTANTGHELVDAFVWVKPGGESDGTSDSSAPRFDSHCALPDALQPAPQAGAWFQAYFVQLLTNANPSFLHHHHHH

来源 Source

来源生物 organism	Trichoderma reesei
通用名 common_name	Trichoderma reesei, Trichoderma reesei
NCBI Class编号 ncbi_taxonomy_id	51453
宿主生物 host_organism	Saccharomyces cerevisiae

Entity 2 Entity 2 non-polymer

Description description	TRIETHYLENE GLYCOL
Molecular weight formula_weight	150.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	TETRAETHYLENE GLYCOL
Molecular weight formula_weight	194.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 5 Entity 5 non-polymer

Description description	ACETATE ION
Molecular weight formula_weight	59.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	278

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d4i5ra1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.6 — 7-stranded beta/alpha barrel
Superfamily Superfamily superfamily	c.6.1 — Glycosyl hydrolases family 6, cellulases
Family Family family	c.6.1.1 — Glycosyl hydrolases family 6, cellulases

Domain ID domain_id	d4i5ra2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

CATH v4.4 (1 domains)

Domain ID domain_id	4i5rA00
Class class	3 — Alpha Beta
Architecture architecture	20 — Alpha-Beta Barrel
Topology topology	20 — TIM Barrel
Homologous superfamily homologous superfamily	40 — 1, 4-beta cellobiohydrolase

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8. Citations (1)

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Unit-cell length a length_a	158.610 Å
Unit-cell length b length_b	45.262 Å
Unit-cell length c length_c	58.602 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	95.21 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	—

Resolution resolution	1.500 Å
Low-resolution limit resolution_low	35.309 Å
R factor r_factor	0.1557
R_work r_work	0.1543
R_free r_free	0.1808

fit	/app/data/saxs_computation/i5/4i5r/4i5r.fit
pddf	/app/data/pr_computation/i5/4i5r/4i5r.pr.out
profile	/app/data/saxs_computation/i5/4i5r/4i5r.dat

Crystal structure of a fungal chimeric cellobiohydrolase Cel6A

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

Chimeric cel6A

State in the Current Structure

Other States of the Same Protein in the Database

Chimeric cel6A

State in the Current Structure

Other States of the Same Protein in the Database

Chimeric cel6A

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

6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (2 domains)

CATH v4.4 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)