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Protein Structures and Oligomeric States

Enter a protein name, UniProt accession or PDB ID. Name searches ask you to confirm the protein identity before related structures are queried.

Current Protein Identity：Q99835 New Search
15PDB entries
18Biological assembly
34chain/assembly records
Main Difference Dimensions in This Set
Different construct Different mutation/modification Different assembly state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics

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
4JKV Structure of the human smoothened 7TM receptor in complex with an antitumor agent Deposited 2013-03-11 Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 190–555（366 aa） Fragment：BRIL
Chain B 190–555（366 aa） Fragment：BRIL
Mutation：M7W, H101I, R107L Mutation：M7W, H101I, R107L 1KS 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 5 OLA OLEIC ACID × 3 PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions Lipidic Cubic Phase (LCP)；pH 7.8；293 K；100 mM HEPES, pH 7.8, 70 mM ammonium fluoride, 32% (v/v) PEG400, 4% 8% (v/v) P400, Lipidic Cubic Phase (LCP), temperature 293K
Resolution 2.45 Å R-free 0.231
4N4W Structure of the human smoothened receptor in complex with SANT-1. Deposited 2013-10-08 Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 190–555（366 aa） Fragment：Residues 190-555
Mutation：M29W, H124I, R128L SNT (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine × 2 ZN ZINC ION × 4 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 4 PEG DI(HYDROXYETHYL)ETHER × 2 PG4 TETRAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions Lipidic Cubic Phase (LCP)；pH 6.9；293 K；NH4F 150mM, HEPES PH 6.9 100mM, PEG 400 27%, Jeffamine 2.5%, Lipidic Cubic Phase (LCP), temperature 293K
Resolution 2.80 Å R-free 0.253
4O9R Human Smoothened Receptor structure in complex with cyclopamine Deposited 2014-01-02 Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 190–433（244 aa） Fragment：UNP Q99835 residues 190-433, P0ABE7 residues 23-128, Q99835 residues 441-555
Chain A 441–555（115 aa） Fragment：UNP Q99835 residues 190-433, P0ABE7 residues 23-128, Q99835 residues 441-555
Mutation：M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L CY8 Cyclopamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions Lipidic Cubic Phase (LCP)；pH 7；293 K；100 mM Hepes, 30 % (v/v) PEG 400, 100 mM NaCl , pH 7.0, Lipidic Cubic Phase (LCP), temperature 293K
Resolution 3.20 Å R-free 0.278
4QIM Structure of the human smoothened receptor in complex with ANTA XV Deposited 2014-05-31 Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 190–433（244 aa） Fragment：UNP Q99835 residues 190-433, P0ABE7 residues 23-128, Q99835 residues 441-555
Chain A 441–555（115 aa） Fragment：UNP Q99835 residues 190-433, P0ABE7 residues 23-128, Q99835 residues 441-555
Mutation：M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L A8T 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions Lipidic Cubic Phase (LCP)；pH 7.2；293 K；100-115mM NH4Cl, 100mM HEPES pH7.2, 36% PEG400, Lipidic Cubic Phase (LCP), temperature 293K
Resolution 2.61 Å R-free 0.263
4QIN Structure of the human smoothened receptor in complex with SAG1.5 Deposited 2014-05-31 Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 190–433（244 aa） Fragment：UNP Q99835 residues 190-433, P0ABE7 residues 23-128, Q99835 residues 441-555
Chain A 441–555（115 aa） Fragment：UNP Q99835 residues 190-433, P0ABE7 residues 23-128, Q99835 residues 441-555
Mutation：M1007W, H1102I, R1106L Mutation：M1007W, H1102I, R1106L SG8 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions Lipidic Cubic Phase (LCP)；pH 6；293 K；100mM MgSO4, 100mM MES pH6.0, 30% PEG400, 2-3% Polypropylene glycol P 400, Lipidic Cubic Phase (LCP), temperature 293K
Resolution 2.60 Å R-free 0.260
5L7D Structure of human Smoothened in complex with cholesterol Deposited 2016-06-03 Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 32–428（397 aa） Fragment：UNP residues 32-428,UNP residues 23-127,UNP residues 443-555
Chain A 443–555（113 aa） Fragment：UNP residues 32-428,UNP residues 23-127,UNP residues 443-555
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CLR CHOLESTEROL × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6；293 K；0.1 M MES pH 6, 30% (v/v) PEG500 DME, 0.1 M sodium acetate, 0.5 mM zinc chloride, 0.1 M ammonium fluoride
Resolution 3.20 Å R-free 0.264
5L7D Structure of human Smoothened in complex with cholesterol Deposited 2016-06-03 Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 32–428（397 aa） Fragment：UNP residues 32-428,UNP residues 23-127,UNP residues 443-555
Chain B 443–555（113 aa） Fragment：UNP residues 32-428,UNP residues 23-127,UNP residues 443-555
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6；293 K；0.1 M MES pH 6, 30% (v/v) PEG500 DME, 0.1 M sodium acetate, 0.5 mM zinc chloride, 0.1 M ammonium fluoride
Resolution 3.20 Å R-free 0.264
5L7I Structure of human Smoothened in complex with Vismodegib Deposited 2016-06-03 Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 32–428（397 aa）
Chain A 443–555（113 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 VIS 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 4；293 K；0.09 M sodium acetate pH4, 0.09 M sodium malonate, 27% (v/v) PEG500 DME, 0.1 M sodium acetate, 0.5 mM zinc chloride, 0.1 M ammonium fluoride.
Resolution 3.30 Å R-free 0.257
5L7I Structure of human Smoothened in complex with Vismodegib Deposited 2016-06-03 Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 32–428（397 aa）
Chain B 443–555（113 aa）
Not recorded VIS 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide × 1 NA SODIUM ION × 1 MPG [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 4；293 K；0.09 M sodium acetate pH4, 0.09 M sodium malonate, 27% (v/v) PEG500 DME, 0.1 M sodium acetate, 0.5 mM zinc chloride, 0.1 M ammonium fluoride.
Resolution 3.30 Å R-free 0.257
5V56 2.9A XFEL structure of the multi-domain human smoothened receptor (with E194M mutation) in complex with TC114 Deposited 2017-03-13 Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 53–433（381 aa） Fragment：UNP RESIDUES 53-433,444-558
Chain A 444–558（115 aa） Fragment：UNP RESIDUES 53-433,444-558
Chain B 53–433（381 aa） Fragment：UNP RESIDUES 53-433,444-558
Chain B 444–558（115 aa） Fragment：UNP RESIDUES 53-433,444-558
Mutation：E194E, P2A, Y98W Mutation：E194E, P2A, Y98W Mutation：E194E, P2A, Y98W Mutation：E194E, P2A, Y98W 836 N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide × 2 FMN FLAVIN MONONUCLEOTIDE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；100 mM Sodium citrate tribasic dihydrate pH 5.0, 36% (v/v) PEG400, 50-200 mM Ammonium nitrate
Resolution 2.90 Å R-free 0.239
5V57 3.0A SYN structure of the multi-domain human smoothened receptor in complex with TC114 Deposited 2017-03-13 Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 58–433（376 aa） Fragment：UNP RESIDUES 58-433,444-558
Chain A 444–558（115 aa） Fragment：UNP RESIDUES 58-433,444-558
Chain B 58–433（376 aa） Fragment：UNP RESIDUES 58-433,444-558
Chain B 444–558（115 aa） Fragment：UNP RESIDUES 58-433,444-558
Mutation：P2A, Y98W Mutation：P2A, Y98W Mutation：P2A, Y98W Mutation：P2A, Y98W 836 N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide × 2 FMN FLAVIN MONONUCLEOTIDE × 2 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5；293 K；100 mM Sodium citrate tribasic dihydrate pH 5.0, 36% (v/v) PEG 400, 50-200 mM Ammonium nitrate
Resolution 3.00 Å R-free 0.240
6OT0 Structure of human Smoothened-Gi complex Deposited 2019-05-02 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain R 1–555（555 aa） Fragment：residues 1-555
Not recorded CO1 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
Resolution 3.84 Å
6XBJ Structure of human SMO-D384R complex with Gi Deposited 2020-06-06 Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric（5） Consistent with protein count
Chain R 1–644（644 aa）
Mutation：D384R CLR CHOLESTEROL × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.88 Å
6XBK Structure of human SMO-G111C/I496C complex with Gi Deposited 2020-06-06 Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric（5） Consistent with protein count
Chain R 1–644（644 aa）
Not recorded CLR CHOLESTEROL × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.24 Å
6XBL Structure of human SMO-Gi complex with SAG Deposited 2020-06-06 Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric（5） Consistent with protein count
Chain R 1–644（644 aa）
Not recorded V0S 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide × 1 CLR CHOLESTEROL × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.96 Å
6XBM Structure of human SMO-Gi complex with 24(S),25-EC Deposited 2020-06-06 Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric（5） Consistent with protein count
Chain R 1–644（644 aa）
Not recorded CO1 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.14 Å
7ZI0 Structure of human Smoothened in complex with cholesterol and SAG Deposited 2022-04-07 Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 32–428（397 aa）
Chain A 443–555（113 aa）
Not recorded V0S 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide × 1 CLR CHOLESTEROL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 2 MPG [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6；293 K；0.1 M MES pH6.0, 0.09-0.12 M potassium formate, 24-27% (v/v) PEG500 DME, 0.5 mM zinc chloride, 0.1 M ammonium fluoride
Resolution 3.00 Å R-free 0.275
7ZI0 Structure of human Smoothened in complex with cholesterol and SAG Deposited 2022-04-07 Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 32–428（397 aa）
Chain B 443–555（113 aa）
Not recorded V0S 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide × 1 CLR CHOLESTEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6；293 K；0.1 M MES pH6.0, 0.09-0.12 M potassium formate, 24-27% (v/v) PEG500 DME, 0.5 mM zinc chloride, 0.1 M ammonium fluoride
Resolution 3.00 Å R-free 0.275

This page presents structural evidence recorded in PDB/mmCIF.“No recorded non-water small molecule” does not prove that the experimental sample was ligand-free; experimental conditions belong to the PDB experiment, while ligands and copy counts are shown for each biological assembly.