Current Protein Identity：P00268
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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 |
|---|---|---|---|---|---|---|---|
| 1B13 CLOSTRIDIUM PASTEURIANUM RUBREDOXIN G10A MUTANT Deposited 1998-11-26 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：G10A | FE FE (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；PROTEIN WAS CRYSTALLISED FROM 50-60% SATURATED AMMONIUM SULFATE IN SODIUM
ACETATE BUFFER (50 MM) AT PH 4.6.
|
Resolution 1.50 Å R-free 0.191 |
| 1B2J CLOSTRIDIUM PASTEURIANUM RUBREDOXIN G43A MUTANT Deposited 1998-11-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：G43A | FE FE (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；PROTEIN WAS CRYSTALLISED FROM 50-60% SATURATED AMMONIUM SULFATE IN SODIUM
ACETATE BUFFER (50 MM) AT PH 4.5., pH 4.6
|
Resolution 1.60 Å R-free 0.234 |
| 1B2O CLOSTRIDIUM PASTEURIANUM RUBREDOXIN G10VG43A MUTANT Deposited 1998-11-30 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：G10V, G43A | FE FE (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5；PROTEIN WAS CRYSTALLISED FROM 70% SATURATED AMMONIUM SULFATE IN SODIUM ACETATE
BUFFER (50 MM) AT PH 5.0.
|
Resolution 1.90 Å R-free 0.237 |
| 1B2O CLOSTRIDIUM PASTEURIANUM RUBREDOXIN G10VG43A MUTANT Deposited 1998-11-30 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–54（54 aa）
|
Mutation：G10V, G43A | FE FE (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5；PROTEIN WAS CRYSTALLISED FROM 70% SATURATED AMMONIUM SULFATE IN SODIUM ACETATE
BUFFER (50 MM) AT PH 5.0.
|
Resolution 1.90 Å R-free 0.237 |
| 1BE7 CLOSTRIDIUM PASTEURIANUM RUBREDOXIN C42S MUTANT Deposited 1998-05-20 | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：C42S | FE FE (III) ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4；PROTEIN WAS CRYSTALLISED FROM 50-60% SATURATED AMMONIUM SULFATE IN SODIUM ACETATE BUFFER (50 MM) AT PH 4., pH 4.0
|
Resolution 1.65 Å R-free 0.201 |
| 1BFY SOLUTION STRUCTURE OF REDUCED CLOSTRIDIUM PASTEURIANUM RUBREDOXIN, NMR, 20 STRUCTURES Deposited 1998-05-23 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | FE FE (III) ION × 1 | SOLUTION NMR |
NMR measurement conditions
pH 6.8；298 K；Ionic strength (raw mmCIF value) 0.1 M；Pressure NORMAL
NMR sample composition
WATER
|
Resolution not provided |
| 1C09 RUBREDOXIN V44A CP Deposited 1999-07-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
1–54（54 aa）
Chain B
1–54（54 aa）
Chain C
1–54（54 aa）
|
Mutation：V44A Mutation：V44A Mutation：V44A | FE FE (III) ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.5；281 K；0.1M Na acetate pH 4.5, 2M ammonium sulfate, temperature 281K
|
Resolution 1.60 Å |
| 1FHH X-RAY CRYSTAL STRUCTURE OF OXIDIZED RUBREDOXIN Deposited 2000-08-01 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | FE FE (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；2M ammonium sulfate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.50 Å |
| 1FHM X-RAY CRYSTAL STRUCTURE OF REDUCED RUBREDOXIN Deposited 2000-08-02 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | FE2 FE (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；2M ammonium sulfate, 0.1M sodium acetate,
0.1 g sodium dithionite, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.50 Å |
| 1IRN RUBREDOXIN (ZN-SUBSTITUTED) AT 1.2 ANGSTROMS RESOLUTION Deposited 1995-12-13 | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | ZN ZINC ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4；pH 4.0
|
Resolution 1.20 Å |
| 1IRO RUBREDOXIN (OXIDIZED, FE(III)) AT 1.1 ANGSTROMS RESOLUTION Deposited 1995-12-13 | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | FE FE (III) ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4；pH 4.0
|
Resolution 1.10 Å |
| 1R0F Gallium-substituted rubredoxin Deposited 2003-09-22 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | GA GALLIUM (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；ammonium sulfate, sodium acetate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.60 Å R-free 0.205 |
| 1R0G mercury-substituted rubredoxin Deposited 2003-09-22 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | HG MERCURY (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；ammonium sulfate, sodium acetate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.60 Å R-free 0.189 |
| 1R0H cobalt-substituted rubredoxin Deposited 2003-09-22 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | CO COBALT (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；ammonium sulfate, sodium acetate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.70 Å R-free 0.197 |
| 1R0I cadmium-substituted rubredoxin Deposited 2003-09-22 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | CD CADMIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；sodium acetate, ammonium sulfate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.50 Å R-free 0.146 |
| 1R0J nickel-substituted rubredoxin Deposited 2003-09-22 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | NI NICKEL (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；sodium acetate, ammonium sulfate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.242 |
| 1SMM Crystal Structure of Cp Rd L41A mutant in oxidized state Deposited 2004-03-09 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：L41A | SO4 SULFATE ION × 1 FE FE (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；277 K；ammonium sulfate, sodium chloride, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.36 Å R-free 0.189 |
| 1SMU Crystal Structure of Cp Rd L41A mutant in reduced state 1 (drop-reduced) Deposited 2004-03-09 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：L41A | FE2 FE (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；ammonium sulfate, sodium dithionite, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.43 Å R-free 0.213 |
| 1SMW Crystal Structure of Cp Rd L41A mutant in reduced state 2 (soaked) Deposited 2004-03-09 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：L41A | FE2 FE (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；277 K；ammonium sulfate, sodium chloride, sodium dithionite, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.38 Å R-free 0.200 |
| 1T9O Crystal Structure of V44G Cp Rubredoxin Deposited 2004-05-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：V44G | FE FE (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；279 K；ammonium sulfate, acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 279K
|
Resolution 2.00 Å R-free 0.183 |
| 1T9O Crystal Structure of V44G Cp Rubredoxin Deposited 2004-05-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–54（54 aa）
|
Mutation：V44G | FE FE (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；279 K；ammonium sulfate, acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 279K
|
Resolution 2.00 Å R-free 0.183 |
| 1T9O Crystal Structure of V44G Cp Rubredoxin Deposited 2004-05-18 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
1–54（54 aa）
|
Mutation：V44G | FE FE (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；279 K；ammonium sulfate, acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 279K
|
Resolution 2.00 Å R-free 0.183 |
| 1T9P Crystal Structure of V44A, G45P Cp Rubredoxin Deposited 2004-05-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：V44A, G45P | FE FE (III) ION × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.50 Å R-free 0.215 |
| 1T9P Crystal Structure of V44A, G45P Cp Rubredoxin Deposited 2004-05-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–54（54 aa）
|
Mutation：V44A, G45P | FE FE (III) ION × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.50 Å R-free 0.215 |
| 1T9P Crystal Structure of V44A, G45P Cp Rubredoxin Deposited 2004-05-18 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
1–54（54 aa）
|
Mutation：V44A, G45P | FE FE (III) ION × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.50 Å R-free 0.215 |
| 1T9Q Crystal Structure of V44L Cp Rubredoxin Deposited 2004-05-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：V44L | FE FE (III) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；ammonium sulfate, acetate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.80 Å R-free 0.228 |
| 2PVE NMR and X-ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin Deposited 2007-05-09 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：K7T,I8V,I41L,A44V,P45G,S47D,E48Q | ZN ZINC ION × 1 ACT ACETATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.5；298 K；48% Ammonium Sulphate, 3% Ethanol Glycol, 0.1M Ammonium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 4.50
|
Resolution 0.79 Å R-free 0.125 |
| 2PVE NMR and X-ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin Deposited 2007-05-09 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–54（54 aa）
|
Mutation：K7T,I8V,I41L,A44V,P45G,S47D,E48Q | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.5；298 K；48% Ammonium Sulphate, 3% Ethanol Glycol, 0.1M Ammonium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 4.50
|
Resolution 0.79 Å R-free 0.125 |
| 2PVE NMR and X-ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin Deposited 2007-05-09 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
1–54（54 aa）
|
Mutation：K7T,I8V,I41L,A44V,P45G,S47D,E48Q | ZN ZINC ION × 1 ACT ACETATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.5；298 K；48% Ammonium Sulphate, 3% Ethanol Glycol, 0.1M Ammonium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 4.50
|
Resolution 0.79 Å R-free 0.125 |
| 4MBS Crystal Structure of the CCR5 Chemokine Receptor Deposited 2013-08-19 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
Fragment：Rubredoxin inserted into CCR5 between residue 223 and 227
|
Mutation：C58Y, G163N, A233D, K303E | MRV 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide × 1 ZN ZINC ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293 K；32% PEG 400, 0.1M HEPES, 0.1M sodium chloride, pH 7.0, Lipidic cubic phase, temperature 293K
|
Resolution 2.71 Å R-free 0.263 |
| 4MBS Crystal Structure of the CCR5 Chemokine Receptor Deposited 2013-08-19 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–54（54 aa）
Fragment：Rubredoxin inserted into CCR5 between residue 223 and 227
|
Mutation：C58Y, G163N, A233D, K303E | MRV 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide × 1 ZN ZINC ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 7；293 K；32% PEG 400, 0.1M HEPES, 0.1M sodium chloride, pH 7.0, Lipidic cubic phase, temperature 293K
|
Resolution 2.71 Å R-free 0.263 |
| 4RXN CRYSTALLOGRAPHIC REFINEMENT OF RUBREDOXIN AT 1.2 ANGSTROMS RESOLUTION Deposited 1984-10-15 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | FE FE (III) ION × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.20 Å |
| 4XNV The human P2Y1 receptor in complex with BPTU Deposited 2015-01-16 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：D320N | BUR 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea × 1 CLR CHOLESTEROL × 1 Y01 CHOLESTEROL HEMISUCCINATE × 3 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 8 1PE PENTAETHYLENE GLYCOL × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；PEG2000MME
Sodium Citrate
|
Resolution 2.20 Å R-free 0.230 |
| 4XNW The human P2Y1 receptor in complex with MRS2500 Deposited 2015-01-16 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：D320N | 2ID [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；PEG400
Sodium citrate
HEPES
|
Resolution 2.70 Å R-free 0.267 |
| 4XNW The human P2Y1 receptor in complex with MRS2500 Deposited 2015-01-16 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
1–54（54 aa）
|
Mutation：D320N | 2ID [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；PEG400
Sodium citrate
HEPES
|
Resolution 2.70 Å R-free 0.267 |
| 5RXN COMBINED CRYSTALLOGRAPHIC REFINEMENT AND ENERGY MINIMIZATION OF RUBREDOXIN AT 1.2 ANGSTROM RESOLUTION Deposited 1984-10-15 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Not recorded | FE FE (III) ION × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.20 Å |
| 5UIW Crystal Structure of CC Chemokine Receptor 5 (CCR5) in complex with high potency HIV entry inhibitor 5P7-CCL5 Deposited 2017-01-15 | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：C58Y, G163N, A233D, K303E | ZN ZINC ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 6 OLA OLEIC ACID × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.3；295.5 K；29% (v/v) PEG 400, 120 mM lithium citrate, 1.2% (w/v) 1,5-Diaminopentane dihydrochloride, 100 mM 2-(N-morpholino)ethanesulfonic acid
|
Resolution 2.20 Å R-free 0.250 |
| 5VBL Structure of apelin receptor in complex with agonist peptide Deposited 2017-03-29 | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–54（54 aa）
Fragment：UNP residues 7-229, UNP residues 1-54, UNP residues 243-330
|
Mutation：V117A, T177N,W261K, C325L, C326M | ZN ZINC ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100mM MES pH 6.1, 26% PEG500 DME, 125mM MgCl2, 100mM NaCl, 500uM AMG3054
|
Resolution 2.60 Å R-free 0.256 |
| 6AKX The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 Deposited 2018-09-04 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：C58Y, G163N, A233D, K303E | ZN ZINC ION × 1 NO3 NITRATE ION × 1 A4R N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；PEG 400, HEPES pH 7.5, ammonium acetate
|
Resolution 2.80 Å R-free 0.269 |
| 6AKX The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 Deposited 2018-09-04 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–54（54 aa）
|
Mutation：C58Y, G163N, A233D, K303E | ZN ZINC ION × 1 NO3 NITRATE ION × 1 A4R N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293.15 K；PEG 400, HEPES pH 7.5, ammonium acetate
|
Resolution 2.80 Å R-free 0.269 |
| 6AKY The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34 Deposited 2018-09-04 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：C58Y, G163N, A233D, K303E | ZN ZINC ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 A4X 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；PEG400, HEPES, ammonium acetate
|
Resolution 2.80 Å R-free 0.283 |
| 6BD4 Crystal structure of human apo-Frizzled4 receptor Deposited 2017-10-21 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：M309L, C450I, C507F, S508Y | ZN ZINC ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 OLA OLEIC ACID × 5 SO4 SULFATE ION × 3 UNX UNKNOWN LIGAND × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6；293 K；100 mM sodium cacodylate trihydrate (pH 6.0), 80 mM Magnesium Sulfate, 30% PEG400, 1.5-2.5% v/v (+/-)-2-Methyl-2,4-pentanediol
|
Resolution 2.40 Å R-free 0.233 |
| 6GPS CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812 Deposited 2018-06-07 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
Fragment：;RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235
;
|
Mutation：;N14Q, C70Y, G175N, A241D, K311E,N14Q, C70Y, G175N, A241D, K311E,N14Q, C70Y, G175N, A241D, K311E,N14Q, C70Y, G175N, A241D, K311E,N14Q, C70Y, G175N, A241D, K311E,N14Q, C70Y, G175N, A241D, K311E,N14Q, C70Y, G175N, A241D, K311E,N14Q, C70Y, G175N, A241D, K311E,N14Q, C70Y, G175N, A241D, K311E ; | ZN ZINC ION × 1 F7N [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；reconstituted into lipidic cubic phase (LCP) by mixing with 9.9 MAG (Monoolein, Sigma) using a syringe mixer as described previously (Caffrey and Cherezov, 2009). 35 % (w/w) of the receptor solution was mixed with 61.5 % monoolein (w/w), additionally supplemented with 3.5 % cholesterol (w/w). Crystallization trials were performed in 96-well glass sandwich plates (Molecular Dimensions). The LCP drops were pipetted in a bolus volume of 50 nl using a gryphon robot and overlaid with 800 nl of precipitant solution per well.
Diffracting quality crystals were obtained with 0.1 M MES pH 6.0, 0.2 M ammonium acetate and 40 % PEG400
|
Resolution 3.30 Å R-free 0.296 |
| 6GPX CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812 Deposited 2018-06-07 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
Fragment：;RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235
;
|
Not recorded | ZN ZINC ION × 1 OLA OLEIC ACID × 11 F7N [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.5；293 K；protein was concentrated to 20-25 mg/ml and reconstituted into LCP by mixing with 90% monoolein/10% cholesterol at a 40:60 (w:w) protein:lipid ratio. LCP crystallization were set up using the IMISX in-situ crystallization plate. 40nl of LCP bolus were dispensed using the Mosquito LCP robot (TTP Labtech) and overlaid with 800 nl of precipitant solution. Crystals were obtained in 0.1 M bis-tris propane pH 6.5, 0.2 M potassium nitrate, 39% (v/v) PEG400, 3% (v/v) 1,2-propanediol
|
Resolution 2.70 Å R-free 0.243 |
| 6GPX CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812 Deposited 2018-06-07 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–54（54 aa）
Fragment：;RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235,RUBREDOXIN INSERTED INTO CCR2A BETWEEN RESIDUE 231 AND 235
;
|
Not recorded | OLA OLEIC ACID × 3 F7N [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；pH 6.5；293 K；protein was concentrated to 20-25 mg/ml and reconstituted into LCP by mixing with 90% monoolein/10% cholesterol at a 40:60 (w:w) protein:lipid ratio. LCP crystallization were set up using the IMISX in-situ crystallization plate. 40nl of LCP bolus were dispensed using the Mosquito LCP robot (TTP Labtech) and overlaid with 800 nl of precipitant solution. Crystals were obtained in 0.1 M bis-tris propane pH 6.5, 0.2 M potassium nitrate, 39% (v/v) PEG400, 3% (v/v) 1,2-propanediol
|
Resolution 2.70 Å R-free 0.243 |
| 6IIU Crystal structure of the human thromboxane A2 receptor bound to ramatroban Deposited 2018-10-07 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：M1007W/H1102I/R1106L/L247A | A8X 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid × 1 ZN ZINC ION × 1 CLR CHOLESTEROL × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；Magnesium acetate, PEG 500 DME
|
Resolution 2.50 Å R-free 0.218 |
| 6IIV Crystal structure of the human thromboxane A2 receptor bound to daltroban Deposited 2018-10-07 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：M1007W/H1102I/R1106L/L247A | A90 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid × 1 ZN ZINC ION × 1 CLR CHOLESTEROL × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；Magnesium acetate, PEG 400
|
Resolution 3.00 Å R-free 0.237 |
| 6KNM Apelin receptor in complex with single domain antibody Deposited 2019-08-06 | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–54（54 aa）
|
Mutation：V117A, T177N,W261K, C325L, C326M,V117A, T177N,W261K, C325L, C326M,V117A, T177N,W261K, C325L, C326M | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM MES pH 6.1, 26% PEG500 DME, 125 mM MgCl2, 100 mM NaCl
|
Resolution 3.20 Å R-free 0.305 |
| 6LI2 Crystal structure of GPR52 ligand free form with rubredoxin fusion Deposited 2019-12-10 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
2–54（53 aa）
|
Mutation：W278Q, C314P, S318A, N321D, V323T | ZN ZINC ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 11 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；0.08-0.1 M magnesium sulphate, 0.1 M sodium cacodylate trihydrate pH 6.2, and 28-31% PEG300
|
Resolution 2.80 Å R-free 0.263 |
| 6LN2 Crystal structure of full length human GLP1 receptor in complex with Fab fragment (Fab7F38) Deposited 2019-12-28 | Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：S193C,I196F,S225A,M233C,S271A,I317C,G318I,K346A,C347F,G361C,E387D | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZN ZINC ION × 1 97Y N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；200-300 mM Ammonium formate, 36% PEG 400, 5%-10% (w/v) Guanidine hydrochloride
|
Resolution 3.20 Å R-free 0.262 |
| 6ME6 XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin Deposited 2018-09-05 | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–53（53 aa）
Chain B
1–53（53 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 2 ZN ZINC ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 2.80 Å R-free 0.249 |
| 6ME7 XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin Deposited 2018-09-05 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–53（53 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.20 Å R-free 0.250 |
| 6ME7 XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin Deposited 2018-09-05 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–53（53 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.20 Å R-free 0.250 |
| 6ME8 XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin Deposited 2018-09-05 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–53（53 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.10 Å R-free 0.262 |
| 6ME8 XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin Deposited 2018-09-05 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–53（53 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEY N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.10 Å R-free 0.262 |
| 6ME9 XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon Deposited 2018-09-05 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–53（53 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEV N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.30 Å R-free 0.270 |
| 6ME9 XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon Deposited 2018-09-05 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–53（53 aa）
|
Mutation：M2007W, H2102I, R2106L, P37S, D86N, L108F, F129W, N137D, C140L, W246F, A305P | JEV N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate
|
Resolution 3.30 Å R-free 0.270 |
| 7F1T Crystal structure of the human chemokine receptor CCR5 in complex with MIP-1a Deposited 2021-06-09 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：T15C,T108C,C150Y,M156A,G255N,A376D,R417A,T427A,K446E | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100mM HEPES, pH 6.0, 250mM ammonium sulfate, 30% (v/v) PEG 400, 8% (v/v) PPG 400
|
Resolution 2.60 Å R-free 0.271 |
| 7SUS Crystal structure of Apelin receptor in complex with small molecule Deposited 2021-11-18 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–54（54 aa）
|
Mutation：V117A,E174C,T177N,M217C,I250C,C325L,C326M | ZN ZINC ION × 1 8EH (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
LIPIDIC CUBIC PHASE；293 K；100 mM MES pH 6.1, 26% PEG500 DME, 125 mM MgCl2, 100 mM NaCl
|
Resolution 2.70 Å R-free 0.274 |