SAXSdb — 4ax6

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

EXOGLUCANASE 2

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	Other combination Monomer Protein × 1 其他Polymer 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 109–471	Fragment：CATALYTIC DOMAIN, RESIDUES 109-471 Mutation：YES	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose × 1 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
2	Other combination Monomer Protein × 1 其他Polymer 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 109–471	Fragment：CATALYTIC DOMAIN, RESIDUES 109-471 Mutation：YES	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose × 1 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

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 4AX6	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 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 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 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 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 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 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 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 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 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 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 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 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
4AX7 Hypocrea jecorina Cel6A D221A mutant soaked with 4-Methylumbelliferyl- beta-D-cellobioside Deposited 2012-06-11	Different ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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
4I5R Crystal structure of a fungal chimeric cellobiohydrolase Cel6A Deposited 2012-11-28	Different construct Different mutation/modification Different oligomeric state 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	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
4I5U Crystal structure of a fungal chimeric cellobiohydrolase Cel6A Deposited 2012-11-29	Different construct Different mutation/modification Different oligomeric state 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 21 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 1–363； UniProt 109–471 Author chain B； PDBConstruct 1–363； UniProt 109–471

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	4ax6
Deposition date deposition_date	2012-06-10
Structure title title	HYPOCREA JECORINA CEL6A D221A MUTANT SOAKED WITH 6-CHLORO-4- PHENYLUMBELLIFERYL-BETA-CELLOBIOSIDE
Keywords keywords	;HYDROLASE, HYDROLASE(O-GLYCOSYL), GLYCOSIDASE, GLYCOSIDE HYDROLASE, GH6, CLPHUFG2, CELLULASE, CELLOBIOHYDROLASE, GLYCOPROTEIN, FLUOROGENIC SUBSTRATE ;; HYDROLASE
Experimental Method method	X-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier	32.68 Å
Radius of gyration Rg (electron density) rg_electron	32.48 Å
Forward intensity I(0) i0	106099000.00
Molecular weight molecular_weight	81645.0 kDa
Excluded volume excluded_volume	101670 Å³
Envelope volume envelope_volume	121860 Å³
Hydration-shell volume shell_volume	32203 Å³
Envelope diameter envelope_diameter	118.2 Å
Shell Rg shell_rg	37.73 Å
Envelope Rg envelope_rg	32.48 Å
Shape Rg shape_rg	32.45 Å
Total Rg total_rg	32.99 Å
Total atoms total_atoms	5758
Residues n_residues	726
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	112.6 Å
Rg (real space) rg_real	32.97 Å
Rg uncertainty (real space) rg_real_error	0.96 Å
I(0) (real space) i0_real	1.0610e+08
I(0) uncertainty (real space) i0_real_error	1.8670e+06
Rg (reciprocal space) rg_reciprocal	32.86 Å
I(0) (reciprocal space) i0_reciprocal	106100000.0000
Solution quality estimate total_estimate	0.7986
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	28.2 Å
Skewness Skewness skewness	0.446
Kurtosis Kurtosis kurtosis	-0.598
Angular range angular_range	— – 0.2400 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	39950000.0000
Real-space data points n_real_points	49
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.580; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.696; Smooth: 0.941

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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	EXOGLUCANASE 2
Molecular weight formula_weight	38867.2 kDa
EC 编号 ec_number	3.2.1.91
Mutation mutation	YES
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	6308

TATYSGNPFVGVTPWANAYYASEVSSLAIPSLTGAMATAAAAVAKVPSFMWLDTLDKTPLMEQTLADIRTANKNGGNYAGQFVVYDLPDRDCAALASNGEYSIADGGVAKYKNYIDTIRQIVVEYSDIRTLLVIEPASLANLVTNLGTPKCANAQSAYLECINYAVTQLNLPNVAMYLDAGHAGWLGWPANQDPAAQLFANVYKNASSPRALRGLATNVANYNGWNITSPPSYTQGNAVYNEKLYIHAIGPLLANHGWSNAFFITDQGRSGKQPTGQQQWGDWCNVIGTGFGIRPSANTGDSLLDSFVWVKPGGECDGTSDSSAPRFDSHCALPDALQPAPQAGAWFQAYFVQLLTNANPSFL

来源 Source

来源生物 organism	TRICHODERMA REESEI
NCBI Class编号 ncbi_taxonomy_id	51453
宿主生物 host_organism	TRICHODERMA REESEI

Entity 2 Entity 2 branched

Description description	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Molecular weight formula_weight	342.3 kDa
Source method src_method	man
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	2-acetamido-2-deoxy-beta-D-glucopyranose
Molecular weight formula_weight	221.2 kDa
Source method src_method	man
Copy count entity_count	4

Entity 4 Entity 4 non-polymer

Description description	alpha-D-mannopyranose
Molecular weight formula_weight	180.2 kDa
Source method src_method	man
Copy count entity_count	12

Entity 5 Entity 5 non-polymer

Description description	6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one
Molecular weight formula_weight	272.7 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	544

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d4ax6a_
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	d4ax6b_
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

CATH v4.4 (2 domains)

Domain ID domain_id	4ax6A00
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

Domain ID domain_id	4ax6B00
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	49.540 Å
Unit-cell length b length_b	52.960 Å
Unit-cell length c length_c	66.540 Å
Unit-cell angle α angle_alpha	77.33 °
Unit-cell angle β angle_beta	78.60 °
Unit-cell angle γ angle_gamma	75.66 °
Molecules per unit cell Z z_pdb	2

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

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	64.170 Å
R factor r_factor	0.2064
R_work r_work	0.2039
R_free r_free	0.2545

fit	/app/data/saxs_computation/ax/4ax6/4ax6.fit
pddf	/app/data/pr_computation/ax/4ax6/4ax6.pr.out
profile	/app/data/saxs_computation/ax/4ax6/4ax6.dat

HYPOCREA JECORINA CEL6A D221A MUTANT SOAKED WITH 6-CHLORO-4- PHENYLUMBELLIFERYL-BETA-CELLOBIOSIDE