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1hgw

CEL6A D175A mutant

Method: X-RAY DIFFRACTION Dmax: 120.8 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

CELLOBIOHYDROLASE CEL6A (FORMERLY CALLED CBH II)

TRICHODERMA REESEI

UniProt P07987

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 107–471 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
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain B； UniProt 107–471 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

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 1HGW 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 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 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
1HGY CEL6A D221A mutant Deposited 2000-12-15 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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
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_TRIRE
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–365； UniProt 107–471 Author chain B； PDBConstruct 1–365； UniProt 107–471

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.

SAXS scattering curve SAXS Profile

SAXS profile for 1hgw

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1hgw
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1hgw
Deposition date deposition_date2000-12-15
Structure title titleCEL6A D175A mutant
Keywords keywordsHYDROLASE (O-GLYCOSYL), GLYCOSIDASE, GLYCOPROTEIN; HYDROLASE (O-GLYCOSYL)
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier38.55 Å
Radius of gyration Rg (electron density) rg_electron38.38 Å
Forward intensity I(0) i0100066000.00
Molecular weight molecular_weight80833.0 kDa
Excluded volume excluded_volume100620 ų
Envelope volume envelope_volume131220 ų
Hydration-shell volume shell_volume27744 ų
Envelope diameter envelope_diameter122.5 Å
Shell Rg shell_rg45.77 Å
Envelope Rg envelope_rg37.27 Å
Shape Rg shape_rg38.35 Å
Total Rg total_rg38.88 Å
Total atoms total_atoms5699
Residues n_residues726
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax120.8 Å
Rg (real space) rg_real38.88 Å
Rg uncertainty (real space) rg_real_error0.88 Å
I(0) (real space) i0_real1.0010e+08
I(0) uncertainty (real space) i0_real_error1.7260e+06
Rg (reciprocal space) rg_reciprocal38.69 Å
I(0) (reciprocal space) i0_reciprocal100000000.0000
Solution quality estimate total_estimate0.6632
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.5 Å
Skewness Skewness skewness0.230
Kurtosis Kurtosis kurtosis-1.177
Angular range angular_range— – 0.2050 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha52430000.0000
Real-space data points n_real_points42
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.134; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.497; Smooth: 0.718
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd1hgwa_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.6 — 7-stranded beta/alpha barrel
Superfamily Superfamily superfamilyc.6.1 — Glycosyl hydrolases family 6, cellulases
Family Family familyc.6.1.1 — Glycosyl hydrolases family 6, cellulases
Domain ID domain_idd1hgwb_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.6 — 7-stranded beta/alpha barrel
Superfamily Superfamily superfamilyc.6.1 — Glycosyl hydrolases family 6, cellulases
Family Family familyc.6.1.1 — Glycosyl hydrolases family 6, cellulases

CATH v4.4 (2 domains)

Domain ID domain_id1hgwA00
Class class3 — Alpha Beta
Architecture architecture20 — Alpha-Beta Barrel
Topology topology20 — TIM Barrel
Homologous superfamily homologous superfamily40 — 1, 4-beta cellobiohydrolase
Domain ID domain_id1hgwB00
Class class3 — Alpha Beta
Architecture architecture20 — Alpha-Beta Barrel
Topology topology20 — TIM Barrel
Homologous superfamily homologous superfamily40 — 1, 4-beta cellobiohydrolase
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8. Citations (2)

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9. Files and Curves (10)