Current Protein Identity：Q01468
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1BJP CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY 2-OXO-3-PENTYNOATE AT 2.4 ANGSTROMS RESOLUTION Deposited 1998-06-26 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
1–62（62 aa）
Chain B
1–62（62 aa）
|
Not recorded | OXP 2-OXO-3-PENTENOIC ACID × 6 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.244 |
| 1BJP CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY 2-OXO-3-PENTYNOATE AT 2.4 ANGSTROMS RESOLUTION Deposited 1998-06-26 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain C
1–62（62 aa）
Chain D
1–62（62 aa）
|
Not recorded | OXP 2-OXO-3-PENTENOIC ACID × 6 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.244 |
| 1BJP CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY 2-OXO-3-PENTYNOATE AT 2.4 ANGSTROMS RESOLUTION Deposited 1998-06-26 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain E
1–62（62 aa）
|
Not recorded | OXP 2-OXO-3-PENTENOIC ACID × 6 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.244 |
| 2FM7 Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4-Oxalocrotonate Tautomerase Deposited 2006-01-08 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
1–62（62 aa）
Chain B
1–62（62 aa）
Chain C
1–62（62 aa）
Chain D
1–62（62 aa）
Chain E
1–62（62 aa）
Chain F
1–62（62 aa）
|
Mutation：L8R Mutation：L8R Mutation：L8R Mutation：L8R Mutation：L8R Mutation：L8R | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；3 microlitres of protein (20 mg/mL solution in 10 mM Tris-Cl, pH 7.0) mixed with an equal volume of reservoir buffer [30% O-(2-aminopropyl)-O-(2-methoxyethyl)polypropylene glycol 500, 100 mM 2-(N-morpholino)ethanesulfonic acid, pH 6.5, and 50 mM CsCl]. The resulting mixture was allowed to equilibrate against 50 microlitres of reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.301 |
| 2FM7 Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4-Oxalocrotonate Tautomerase Deposited 2006-01-08 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
1–62（62 aa）
Chain B
1–62（62 aa）
|
Mutation：L8R Mutation：L8R | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；3 microlitres of protein (20 mg/mL solution in 10 mM Tris-Cl, pH 7.0) mixed with an equal volume of reservoir buffer [30% O-(2-aminopropyl)-O-(2-methoxyethyl)polypropylene glycol 500, 100 mM 2-(N-morpholino)ethanesulfonic acid, pH 6.5, and 50 mM CsCl]. The resulting mixture was allowed to equilibrate against 50 microlitres of reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.301 |
| 2FM7 Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4-Oxalocrotonate Tautomerase Deposited 2006-01-08 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain E
1–62（62 aa）
Chain F
1–62（62 aa）
|
Mutation：L8R Mutation：L8R | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；3 microlitres of protein (20 mg/mL solution in 10 mM Tris-Cl, pH 7.0) mixed with an equal volume of reservoir buffer [30% O-(2-aminopropyl)-O-(2-methoxyethyl)polypropylene glycol 500, 100 mM 2-(N-morpholino)ethanesulfonic acid, pH 6.5, and 50 mM CsCl]. The resulting mixture was allowed to equilibrate against 50 microlitres of reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.301 |
| 2FM7 Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4-Oxalocrotonate Tautomerase Deposited 2006-01-08 | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–62（62 aa）
Chain B
1–62（62 aa）
|
Mutation：L8R Mutation：L8R | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；3 microlitres of protein (20 mg/mL solution in 10 mM Tris-Cl, pH 7.0) mixed with an equal volume of reservoir buffer [30% O-(2-aminopropyl)-O-(2-methoxyethyl)polypropylene glycol 500, 100 mM 2-(N-morpholino)ethanesulfonic acid, pH 6.5, and 50 mM CsCl]. The resulting mixture was allowed to equilibrate against 50 microlitres of reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.301 |
| 2FM7 Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4-Oxalocrotonate Tautomerase Deposited 2006-01-08 | Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
1–62（62 aa）
Chain F
1–62（62 aa）
|
Mutation：L8R Mutation：L8R | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；3 microlitres of protein (20 mg/mL solution in 10 mM Tris-Cl, pH 7.0) mixed with an equal volume of reservoir buffer [30% O-(2-aminopropyl)-O-(2-methoxyethyl)polypropylene glycol 500, 100 mM 2-(N-morpholino)ethanesulfonic acid, pH 6.5, and 50 mM CsCl]. The resulting mixture was allowed to equilibrate against 50 microlitres of reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.301 |
| 2FM7 Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4-Oxalocrotonate Tautomerase Deposited 2006-01-08 | Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
1–62（62 aa）
Chain D
1–62（62 aa）
|
Mutation：L8R Mutation：L8R | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；3 microlitres of protein (20 mg/mL solution in 10 mM Tris-Cl, pH 7.0) mixed with an equal volume of reservoir buffer [30% O-(2-aminopropyl)-O-(2-methoxyethyl)polypropylene glycol 500, 100 mM 2-(N-morpholino)ethanesulfonic acid, pH 6.5, and 50 mM CsCl]. The resulting mixture was allowed to equilibrate against 50 microlitres of reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.301 |
| 4OTA 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, ORTHORHOMBIC CRYSTAL FORM Deposited 1998-10-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
1–62（62 aa）
Chain B
1–62（62 aa）
Chain C
1–62（62 aa）
Chain D
1–62（62 aa）
Chain E
1–62（62 aa）
Chain F
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 10 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.75 Å R-free 0.266 |
| 4OTA 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, ORTHORHOMBIC CRYSTAL FORM Deposited 1998-10-15 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain G
1–62（62 aa）
Chain H
1–62（62 aa）
Chain I
1–62（62 aa）
Chain J
1–62（62 aa）
Chain K
1–62（62 aa）
Chain L
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.75 Å R-free 0.266 |
| 4OTA 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, ORTHORHOMBIC CRYSTAL FORM Deposited 1998-10-15 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain M
1–62（62 aa）
Chain N
1–62（62 aa）
Chain O
1–62（62 aa）
Chain P
1–62（62 aa）
Chain Q
1–62（62 aa）
Chain R
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.75 Å R-free 0.266 |
| 4OTB 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, RHOMBOHEDRAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
1–62（62 aa）
Chain B
1–62（62 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.50 Å R-free 0.258 |
| 4OTB 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, RHOMBOHEDRAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain C
1–62（62 aa）
Chain D
1–62（62 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.50 Å R-free 0.258 |
| 4OTB 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, RHOMBOHEDRAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain E
1–62（62 aa）
Chain F
1–62（62 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.50 Å R-free 0.258 |
| 4OTB 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, RHOMBOHEDRAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 4 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain G
1–62（62 aa）
Chain H
1–62（62 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.50 Å R-free 0.258 |
| 4OTB 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, RHOMBOHEDRAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 5 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain I
1–62（62 aa）
Chain J
1–62（62 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.50 Å R-free 0.258 |
| 4OTB 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, RHOMBOHEDRAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 6 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain K
1–62（62 aa）
Chain L
1–62（62 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.50 Å R-free 0.258 |
| 4OTC 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 12 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.28 Å R-free 0.265 |
| 4OTC 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–62（62 aa）
Chain C
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.28 Å R-free 0.265 |
| 4OTC 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
1–62（62 aa）
Chain E
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.28 Å R-free 0.265 |
| 4OTC 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain F
1–62（62 aa）
Chain G
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.28 Å R-free 0.265 |
| 4OTC 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 5 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain H
1–62（62 aa）
Chain I
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 12 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.28 Å R-free 0.265 |
| 4OTC 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 6 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain B
1–62（62 aa）
Chain C
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 12 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.28 Å R-free 0.265 |
| 4OTC 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 7 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain F
1–62（62 aa）
Chain G
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 12 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.28 Å R-free 0.265 |
| 4OTC 4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM Deposited 1998-10-15 | Assembly 8 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain D
1–62（62 aa）
Chain E
1–62（62 aa）
|
Not recorded | SO4 SULFATE ION × 12 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.28 Å R-free 0.265 |
| 4X19 Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom Deposited 2014-11-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
2–63（62 aa）
Fragment：UNP residues 2-263
Chain B
2–63（62 aa）
Fragment：UNP residues 2-263
Chain C
2–63（62 aa）
Fragment：UNP residues 2-263
Chain D
2–63（62 aa）
Fragment：UNP residues 2-263
Chain E
2–63（62 aa）
Fragment：UNP residues 2-263
Chain F
2–63（62 aa）
Fragment：UNP residues 2-263
|
Not recorded | NCO COBALT HEXAMMINE(III) × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Hexaamine cobalt chloride, Bis-Tris Propane, 20% PEG3350
|
Resolution 1.94 Å R-free 0.289 |
| 4X19 Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom Deposited 2014-11-24 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain G
2–63（62 aa）
Fragment：UNP residues 2-263
Chain H
2–63（62 aa）
Fragment：UNP residues 2-263
Chain I
2–63（62 aa）
Fragment：UNP residues 2-263
Chain J
2–63（62 aa）
Fragment：UNP residues 2-263
Chain K
2–63（62 aa）
Fragment：UNP residues 2-263
Chain L
2–63（62 aa）
Fragment：UNP residues 2-263
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Hexaamine cobalt chloride, Bis-Tris Propane, 20% PEG3350
|
Resolution 1.94 Å R-free 0.289 |
| 4X19 Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom Deposited 2014-11-24 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain M
2–63（62 aa）
Fragment：UNP residues 2-263
Chain N
2–63（62 aa）
Fragment：UNP residues 2-263
Chain O
2–63（62 aa）
Fragment：UNP residues 2-263
Chain P
2–63（62 aa）
Fragment：UNP residues 2-263
Chain Q
2–63（62 aa）
Fragment：UNP residues 2-263
Chain R
2–63（62 aa）
Fragment：UNP residues 2-263
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Hexaamine cobalt chloride, Bis-Tris Propane, 20% PEG3350
|
Resolution 1.94 Å R-free 0.289 |
| 4X19 Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom Deposited 2014-11-24 | Assembly 4 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain S
2–63（62 aa）
Fragment：UNP residues 2-263
Chain T
2–63（62 aa）
Fragment：UNP residues 2-263
Chain U
2–63（62 aa）
Fragment：UNP residues 2-263
Chain V
2–63（62 aa）
Fragment：UNP residues 2-263
Chain W
2–63（62 aa）
Fragment：UNP residues 2-263
Chain X
2–63（62 aa）
Fragment：UNP residues 2-263
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Hexaamine cobalt chloride, Bis-Tris Propane, 20% PEG3350
|
Resolution 1.94 Å R-free 0.289 |
| 4X19 Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom Deposited 2014-11-24 | Assembly 5 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain Y
2–63（62 aa）
Fragment：UNP residues 2-263
Chain Z
2–63（62 aa）
Fragment：UNP residues 2-263
Chain a
2–63（62 aa）
Fragment：UNP residues 2-263
Chain b
2–63（62 aa）
Fragment：UNP residues 2-263
Chain c
2–63（62 aa）
Fragment：UNP residues 2-263
Chain d
2–63（62 aa）
Fragment：UNP residues 2-263
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Hexaamine cobalt chloride, Bis-Tris Propane, 20% PEG3350
|
Resolution 1.94 Å R-free 0.289 |
| 4X1C Crystal structure of 4-OT from Pseudomonas putida mt-2 with an enamine adduct on the N-terminal proline at 1.7 Angstrom resolution Deposited 2014-11-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
2–63（62 aa）
Chain B
2–63（62 aa）
Chain C
2–63（62 aa）
Chain D
2–63（62 aa）
Chain E
2–63（62 aa）
Chain F
2–63（62 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NCO COBALT HEXAMMINE(III) × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Hexaamine cobalt chloride, Bis-Tris Propane, 20% PEG3350, co-crystallised with Acetaldehyde
|
Resolution 1.70 Å R-free 0.227 |
| 4X1C Crystal structure of 4-OT from Pseudomonas putida mt-2 with an enamine adduct on the N-terminal proline at 1.7 Angstrom resolution Deposited 2014-11-24 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain G
2–63（62 aa）
Chain H
2–63（62 aa）
Chain I
2–63（62 aa）
Chain J
2–63（62 aa）
Chain K
2–63（62 aa）
Chain L
2–63（62 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Hexaamine cobalt chloride, Bis-Tris Propane, 20% PEG3350, co-crystallised with Acetaldehyde
|
Resolution 1.70 Å R-free 0.227 |
| 4X1C Crystal structure of 4-OT from Pseudomonas putida mt-2 with an enamine adduct on the N-terminal proline at 1.7 Angstrom resolution Deposited 2014-11-24 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain M
2–63（62 aa）
Chain N
2–63（62 aa）
Chain O
2–63（62 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Hexaamine cobalt chloride, Bis-Tris Propane, 20% PEG3350, co-crystallised with Acetaldehyde
|
Resolution 1.70 Å R-free 0.227 |
| 5CLN Crystal structure of a 4-oxalocrotonate tautomerase mutant at 2.7 Angstrom Deposited 2015-07-16 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
2–58（57 aa）
Fragment：UNP residues 2-58
Chain B
2–58（57 aa）
Fragment：UNP residues 2-58
Chain C
2–58（57 aa）
Fragment：UNP residues 2-58
Chain D
2–58（57 aa）
Fragment：UNP residues 2-58
Chain E
2–58（57 aa）
Fragment：UNP residues 2-58
Chain F
2–58（57 aa）
Fragment：UNP residues 2-58
|
Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2 M sodium formate, 0.1 M Bis-Tris Propane, 20% PEG 3350
|
Resolution 2.71 Å R-free 0.263 |
| 5CLN Crystal structure of a 4-oxalocrotonate tautomerase mutant at 2.7 Angstrom Deposited 2015-07-16 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain G
2–58（57 aa）
Fragment：UNP residues 2-58
Chain H
2–58（57 aa）
Fragment：UNP residues 2-58
Chain I
2–58（57 aa）
Fragment：UNP residues 2-58
|
Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2 M sodium formate, 0.1 M Bis-Tris Propane, 20% PEG 3350
|
Resolution 2.71 Å R-free 0.263 |
| 5CLN Crystal structure of a 4-oxalocrotonate tautomerase mutant at 2.7 Angstrom Deposited 2015-07-16 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain J
2–58（57 aa）
Fragment：UNP residues 2-58
Chain K
2–58（57 aa）
Fragment：UNP residues 2-58
Chain L
2–58（57 aa）
Fragment：UNP residues 2-58
|
Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2 M sodium formate, 0.1 M Bis-Tris Propane, 20% PEG 3350
|
Resolution 2.71 Å R-free 0.263 |
| 5CLN Crystal structure of a 4-oxalocrotonate tautomerase mutant at 2.7 Angstrom Deposited 2015-07-16 | Assembly 4 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain J
2–58（57 aa）
Fragment：UNP residues 2-58
Chain K
2–58（57 aa）
Fragment：UNP residues 2-58
Chain L
2–58（57 aa）
Fragment：UNP residues 2-58
|
Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2 M sodium formate, 0.1 M Bis-Tris Propane, 20% PEG 3350
|
Resolution 2.71 Å R-free 0.263 |
| 5CLN Crystal structure of a 4-oxalocrotonate tautomerase mutant at 2.7 Angstrom Deposited 2015-07-16 | Assembly 5 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain J
2–58（57 aa）
Fragment：UNP residues 2-58
Chain K
2–58（57 aa）
Fragment：UNP residues 2-58
Chain L
2–58（57 aa）
Fragment：UNP residues 2-58
|
Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2 M sodium formate, 0.1 M Bis-Tris Propane, 20% PEG 3350
|
Resolution 2.71 Å R-free 0.263 |
| 5CLO Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom Deposited 2015-07-16 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
2–60（59 aa）
Fragment：UNP residues 2-60
Chain B
2–60（59 aa）
Fragment：UNP residues 2-60
Chain C
2–60（59 aa）
Fragment：UNP residues 2-60
Chain D
2–60（59 aa）
Fragment：UNP residues 2-60
Chain E
2–60（59 aa）
Fragment：UNP residues 2-60
Chain F
2–60（59 aa）
Fragment：UNP residues 2-60
|
Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M PCTP buffer, 25% PEG 1500, 5 mM nitrostyrene, 5 % (v/v) DMSO
|
Resolution 2.30 Å R-free 0.276 |
| 5CLO Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom Deposited 2015-07-16 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain G
2–60（59 aa）
Fragment：UNP residues 2-60
Chain H
2–60（59 aa）
Fragment：UNP residues 2-60
Chain I
2–60（59 aa）
Fragment：UNP residues 2-60
Chain J
2–60（59 aa）
Fragment：UNP residues 2-60
Chain K
2–60（59 aa）
Fragment：UNP residues 2-60
Chain L
2–60（59 aa）
Fragment：UNP residues 2-60
|
Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M PCTP buffer, 25% PEG 1500, 5 mM nitrostyrene, 5 % (v/v) DMSO
|
Resolution 2.30 Å R-free 0.276 |
| 5CLO Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom Deposited 2015-07-16 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain M
2–60（59 aa）
Fragment：UNP residues 2-60
Chain N
2–60（59 aa）
Fragment：UNP residues 2-60
Chain O
2–60（59 aa）
Fragment：UNP residues 2-60
Chain P
2–60（59 aa）
Fragment：UNP residues 2-60
Chain Q
2–60（59 aa）
Fragment：UNP residues 2-60
Chain R
2–60（59 aa）
Fragment：UNP residues 2-60
|
Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A Mutation：M45Y, F50A | NS8 trans beta nitrostyrene × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M PCTP buffer, 25% PEG 1500, 5 mM nitrostyrene, 5 % (v/v) DMSO
|
Resolution 2.30 Å R-free 0.276 |
| 5TIG CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY BrHPD Deposited 2016-10-02 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
2–63（62 aa）
Chain B
2–63（62 aa）
Chain C
2–63（62 aa）
Chain D
2–63（62 aa）
Chain E
2–63（62 aa）
Chain F
2–63（62 aa）
|
Not recorded | 7DH (3E)-5-hydroxy-2-oxopent-3-enoic acid × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；100 mM TRIS, pH 8, with 17.5% PEG 4600 (w/v) and 0.1 M potassium acetate
|
Resolution 2.70 Å R-free 0.254 |
| 5TIG CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY BrHPD Deposited 2016-10-02 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain G
2–63（62 aa）
Chain H
2–63（62 aa）
Chain I
2–63（62 aa）
Chain J
2–63（62 aa）
Chain K
2–63（62 aa）
Chain L
2–63（62 aa）
|
Not recorded | 7DH (3E)-5-hydroxy-2-oxopent-3-enoic acid × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；100 mM TRIS, pH 8, with 17.5% PEG 4600 (w/v) and 0.1 M potassium acetate
|
Resolution 2.70 Å R-free 0.254 |
| 5TIG CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY BrHPD Deposited 2016-10-02 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain M
2–63（62 aa）
Chain N
2–63（62 aa）
Chain O
2–63（62 aa）
Chain P
2–63（62 aa）
Chain Q
2–63（62 aa）
Chain R
2–63（62 aa）
|
Not recorded | 7DH (3E)-5-hydroxy-2-oxopent-3-enoic acid × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；100 mM TRIS, pH 8, with 17.5% PEG 4600 (w/v) and 0.1 M potassium acetate
|
Resolution 2.70 Å R-free 0.254 |
| 5TIG CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY BrHPD Deposited 2016-10-02 | Assembly 4 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain S
2–63（62 aa）
Chain T
2–63（62 aa）
Chain U
2–63（62 aa）
Chain V
2–63（62 aa）
Chain W
2–63（62 aa）
Chain X
2–63（62 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；100 mM TRIS, pH 8, with 17.5% PEG 4600 (w/v) and 0.1 M potassium acetate
|
Resolution 2.70 Å R-free 0.254 |
| 5TIG CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY BrHPD Deposited 2016-10-02 | Assembly 5 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain Y
2–63（62 aa）
Chain Z
2–63（62 aa）
Chain a
2–63（62 aa）
Chain b
2–63（62 aa）
Chain c
2–63（62 aa）
Chain d
2–63（62 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；100 mM TRIS, pH 8, with 17.5% PEG 4600 (w/v) and 0.1 M potassium acetate
|
Resolution 2.70 Å R-free 0.254 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain J
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 1 NO3 NITRATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain K
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain L
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 13 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain M
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 14 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain N
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 15 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain O
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain E
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain F
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain G
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 2 NO3 NITRATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain H
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 2 NO3 NITRATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6BGN Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate Deposited 2017-10-29 | Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain I
2–61（60 aa）
|
Not recorded | 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate
|
Resolution 1.51 Å R-free 0.169 |
| 6FPS Crystal structure of 4-oxalocrotonate tautomerase triple mutant L8Y/M45Y/F50A Deposited 2018-02-12 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
2–63（62 aa）
Chain B
2–63（62 aa）
Chain C
2–63（62 aa）
Chain D
2–63（62 aa）
Chain E
2–63（62 aa）
Chain F
2–63（62 aa）
|
Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；18% (w/v) PEG 3350, 0.2 M sodium formate, 0.1 M bistris-propane HCl, pH 7.0
|
Resolution 1.90 Å R-free 0.222 |
| 6FPS Crystal structure of 4-oxalocrotonate tautomerase triple mutant L8Y/M45Y/F50A Deposited 2018-02-12 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain G
2–63（62 aa）
Chain H
2–63（62 aa）
Chain I
2–63（62 aa）
Chain J
2–63（62 aa）
Chain K
2–63（62 aa）
Chain L
2–63（62 aa）
|
Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；18% (w/v) PEG 3350, 0.2 M sodium formate, 0.1 M bistris-propane HCl, pH 7.0
|
Resolution 1.90 Å R-free 0.222 |
| 6FPS Crystal structure of 4-oxalocrotonate tautomerase triple mutant L8Y/M45Y/F50A Deposited 2018-02-12 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain M
2–63（62 aa）
Chain N
2–63（62 aa）
Chain O
2–63（62 aa）
Chain P
2–63（62 aa）
Chain Q
2–63（62 aa）
Chain R
2–63（62 aa）
|
Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A Mutation：L8Y, M45Y, F50A | PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；18% (w/v) PEG 3350, 0.2 M sodium formate, 0.1 M bistris-propane HCl, pH 7.0
|
Resolution 1.90 Å R-free 0.222 |
| 6GHW Substituting the prolines of 4-oxalocrotonate tautomerase with non-canonical analogue (2S)-3,4-dehydroproline Deposited 2018-05-09 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain A
3–63（61 aa）
Chain B
3–63（61 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；88% of 1-45 Morpheus condition (0.12M Alcohols, 0.1M Tris (base), BICINE pH 8.5, 50% v/v Precipitant mix composed of 40% v/v PEG 500 MME; 20 % w/v PEG 20000).
protein concentration 6 mg/ml n 0.1M PCTP buffer pH 7.0
|
Resolution 2.30 Å R-free 0.320 |
| 6GHW Substituting the prolines of 4-oxalocrotonate tautomerase with non-canonical analogue (2S)-3,4-dehydroproline Deposited 2018-05-09 | Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain C
3–63（61 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CA CALCIUM ION × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；88% of 1-45 Morpheus condition (0.12M Alcohols, 0.1M Tris (base), BICINE pH 8.5, 50% v/v Precipitant mix composed of 40% v/v PEG 500 MME; 20 % w/v PEG 20000).
protein concentration 6 mg/ml n 0.1M PCTP buffer pH 7.0
|
Resolution 2.30 Å R-free 0.320 |
| 9HZI X-ray Crystallographic Structure of 4-OT (F11) in complex with 2-Hydroxycinnamaldehyde Deposited 2025-01-13 | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
2–63（62 aa）
Chain B
2–63（62 aa）
Chain C
2–63（62 aa）
|
Not recorded | A1IZH (1~{Z},2~{S})-1-[(~{E})-3-(2-hydroxyphenyl)prop-2-enylidene]-1$l^{4}-azolidine-2-carbaldehyde × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293.15 K；Reservoir Volume = 500 microliter
Reservoir Composition
PEG 2000 (15%)
Urea (13 mM)
Bis-Tris pH 7.0 (0.1 M)
Drop Preparation
2-Hydroxycinnamaldehyde was saturated in 5mM KH2PO4 pH 7.3. 4-OT (F11) was diluted from the storage stock (104.6 mg/mL) to the working stock (16mg/mL) using the above saturated solution.
Drop Volume= 1microliter protein solution (protein in 5mM KH2PO4 pH 7.3 (16 mg/ml) + 1microliter precipitant solution
Drop Composition
PEG 2000 (7.5%)
Urea (6.5 mM)
Bis-Tris pH 7.0 (0.05 M)
Guanidine Hydrochloride (0.08 M)
|
Resolution 2.27 Å R-free 0.275 |