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22rl

Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor

Method: X-RAY DIFFRACTION Dmax: 86.2 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Phosphoglycerate mutase 1

Homo sapiens

UniProt P18669

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 1–254 Chain C； UniProt 1–254 Not recorded A1E4O 7-bromanyl-5-chloranyl-3-(2-hydroxyethylamino)-1-benzothiophene-2-carboxylic acid × 3 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6；289.15 K；100 mM MES 6.0, 8% PEG3350 Resolution 3.19 Å R-free 0.264

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 22RL Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1YFK Crystal structure of human B type phosphoglycerate mutase Deposited 2005-01-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 0–253（254 aa）
Chain B 0–253（254 aa）
Not recorded CL CHLORIDE ION × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；297 K；PEG4000, iso-Propanol, tri-Sodium Citrate dehydrate, (NH4)2SO4, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 297K
Resolution 2.70 Å R-free 0.255
1YJX Crystal structure of human B type phosphoglycerate mutase Deposited 2005-01-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 0–253（254 aa）
Chain B 0–253（254 aa）
Not recorded CL CHLORIDE ION × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；297 K；PEG4000, iso-Propanol, tri-Sodium Citrate dehydrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 297.0K
Resolution 2.80 Å R-free 0.272
1YJX Crystal structure of human B type phosphoglycerate mutase Deposited 2005-01-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 0–253（254 aa）
Chain D 0–253（254 aa）
Not recorded CL CHLORIDE ION × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；297 K；PEG4000, iso-Propanol, tri-Sodium Citrate dehydrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 297.0K
Resolution 2.80 Å R-free 0.272
1YJX Crystal structure of human B type phosphoglycerate mutase Deposited 2005-01-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 0–253（254 aa）
Chain F 0–253（254 aa）
Not recorded CL CHLORIDE ION × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；297 K；PEG4000, iso-Propanol, tri-Sodium Citrate dehydrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 297.0K
Resolution 2.80 Å R-free 0.272
1YJX Crystal structure of human B type phosphoglycerate mutase Deposited 2005-01-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 0–253（254 aa）
Chain H 0–253（254 aa）
Not recorded CL CHLORIDE ION × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；297 K；PEG4000, iso-Propanol, tri-Sodium Citrate dehydrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 297.0K
Resolution 2.80 Å R-free 0.272
1YJX Crystal structure of human B type phosphoglycerate mutase Deposited 2005-01-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain I 0–253（254 aa）
Chain J 0–253（254 aa）
Not recorded CL CHLORIDE ION × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；297 K；PEG4000, iso-Propanol, tri-Sodium Citrate dehydrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 297.0K
Resolution 2.80 Å R-free 0.272
1YJX Crystal structure of human B type phosphoglycerate mutase Deposited 2005-01-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain K 0–253（254 aa）
Chain L 0–253（254 aa）
Not recorded CL CHLORIDE ION × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；297 K；PEG4000, iso-Propanol, tri-Sodium Citrate dehydrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 297.0K
Resolution 2.80 Å R-free 0.272
22RB Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor Deposited 2026-01-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded GOL GLYCEROL × 8 CL CHLORIDE ION × 1 A1E4N 4-(4-chlorophenyl)-2-[[4-(3,6-dihydro-2~{H}-pyran-4-yl)phenyl]sulfonylamino]benzoic acid × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289.15 K；1 mM MES 6.0, 8% PEG 3350
Resolution 1.75 Å R-free 0.205
22RH Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor Deposited 2026-01-21 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded A1E4P 5-chloranyl-3-methyl-1~{H}-indole-2-carboxylic acid × 3 GOL GLYCEROL × 5 CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289.15 K；100 mM MES 6.0, 8% PEG3350
Resolution 2.28 Å R-free 0.234
22TN Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor Deposited 2026-01-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded GOL GLYCEROL × 6 CL CHLORIDE ION × 1 A1E4Q ~{N}-[5-(4-chlorophenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-4-phenyl-benzenesulfonamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；100 mM MES 6.0, 8% PEG3350
Resolution 2.03 Å R-free 0.226
22WM Phosphoglycerate mutase 1 complexed with a fragment Deposited 2026-01-26 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded A1E4R 4-(4-chlorophenyl)benzoic acid × 2 GOL GLYCEROL × 10 CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289.15 K；1 mM MES 6.0, 8% PEG3350
Resolution 1.91 Å R-free 0.229
4GPI Crystal structure of human B type phosphoglycerate mutase Deposited 2012-08-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；100 mM MES, pH 6.0, 8% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.08 Å R-free 0.233
4GPZ Crystal structure of human B type phosphoglycerate mutase H11 phosphorylated form Deposited 2012-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–254（254 aa） Fragment：Human type B phosphoglycerate mutase
Chain B 1–254（254 aa） Fragment：Human type B phosphoglycerate mutase
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；PEG3350, MES, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.65 Å R-free 0.214
5Y2I Phosphoglycerate mutase 1 (PGAM1) complexed with its inhibitor PGMI-004A Deposited 2017-07-26 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded 8KX 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide × 1 CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350, MES
Resolution 1.92 Å R-free 0.214
5Y2U X-ray structure of Phosphoglycerate Mutase 1(PGAM1) complexed with a small molecule Deposited 2017-07-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 AZN ALIZARIN RED × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；8% PEG3350 100mM MES 6.0
Resolution 1.98 Å R-free 0.226
5Y35 Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH1 Deposited 2017-07-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 8LF ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；MES, pH 6.0, PEG3350
Resolution 1.99 Å R-free 0.244
5Y64 Phosphoglycerate mutase 1 H11 phosphorylated form complexed with KH1 Deposited 2017-08-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 8LF ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289 K；MES, PEG3350
Resolution 2.15 Å R-free 0.236
5Y65 Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2 Deposited 2017-08-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 HKB ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；MES pH 6.0, 8%PEG3350
Resolution 2.55 Å R-free 0.248
5ZRM Phosphoglycerate mutase 1 complexed with a small molecule inhibitor In-AC Deposited 2018-04-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–235（234 aa） Fragment：UNP residues 2-235
Chain C 2–235（234 aa） Fragment：UNP residues 2-235
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 9HU 2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；MES, pH 6.0, PEG3350
Resolution 2.28 Å R-free 0.232
5ZS7 Acetylation of lysine 100 in Phosphoglycerate mutase 1 Deposited 2018-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 3–235（233 aa）
Chain C 2–235（234 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；MES, pH 6.0, PEG 3350
Resolution 2.68 Å R-free 0.255
5ZS8 Acetylation of lysine 100 of Phosphoglycerate mutase 1 complexed with KH_ol Deposited 2018-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–235（234 aa）
Chain C 2–241（240 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 9JF N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；MES, pH 6.0, PEG 3350
Resolution 2.20 Å R-free 0.220
6ISN Phosphoglycerate mutase 1 complexed with a small molecule inhibitor Deposited 2018-11-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 2–235（234 aa） Fragment：UNP residues 2-235
Chain C 2–235（234 aa） Fragment：UNP residues 2-235
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 AW6 4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；MES, pH 6.0, PEG3350
Resolution 1.98 Å R-free 0.225
7XB7 Phosphoglycerate mutase 1 complexed with a covalent inhibitor Deposited 2022-03-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 CKF 3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；MES, pH 6.0, PEG3350
Resolution 2.20 Å R-free 0.236
7XB8 Phosphoglycerate mutase 1 complexed with a covalent inhibitor Deposited 2022-03-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 H6I 4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG3350, 100mM MES 6.0
Resolution 1.60 Å R-free 0.191
7XB9 Phosphoglycerate mutase 1 complexed with a covalent inhibitor Deposited 2022-03-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 H5X 3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350, 100mM MES 6.0
Resolution 1.58 Å R-free 0.196
8IT4 Phosphoglycerate mutase 1 complexed with a covalent inhibitor Deposited 2023-03-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–254（254 aa）
Chain B 1–254（254 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 SKU 3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350, 100mM MES6.0
Resolution 2.40 Å R-free 0.230
8IT5 Phosphoglycerate mutase 1 complexed with a compound Deposited 2023-03-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 QAI 5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350, 100mM MES 6.0
Resolution 2.20 Å R-free 0.229
8IT6 Phosphoglycerate mutase 1 complexed with a compound Deposited 2023-03-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 Q90 4-[4-chloranyl-2-(2-hydroxy-2-oxoethyloxy)phenyl]-2-[(4-phenylphenyl)sulfonylamino]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；PEG3350, 100mM MES 6.0
Resolution 2.55 Å R-free 0.267
8IT7 Phosphoglycerate mutase 1 complexed with a compound Deposited 2023-03-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 Q9F 4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350, 100mM MES 6.0
Resolution 2.80 Å R-free 0.249
8IT8 Phosphoglycerate mutase 1 complexed with a compound Deposited 2023-03-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 Q9L 4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350, 100mM MES 6.0
Resolution 1.95 Å R-free 0.209
8ITB Phosphoglycerate mutase 1 complexed with a compound Deposited 2023-03-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 Q9R 5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350, 100mM MES 6.0
Resolution 2.38 Å R-free 0.243
8ITC Phosphoglycerate mutase 1 complexed with a compound Deposited 2023-03-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 QA0 5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350, 100mM MES 6.0
Resolution 1.88 Å R-free 0.220
8ITD Phosphoglycerate mutase 1 complexed with a compound Deposited 2023-03-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 QA3 4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350, 100mM MES 6.0
Resolution 1.90 Å R-free 0.197
9LG2 Phosphoglycerate mutase 1 complexed with a covalent inhibitor Deposited 2025-01-09 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；0.2 MAmmonium acetate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% w/v Polyethylene glycol 4,000
Resolution 2.02 Å R-free 0.229
9XVS Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor Deposited 2025-11-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded A1E1K 6-chloranyl-10-oxidanylidene-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-2-carboxylic acid × 2 GOL GLYCEROL × 8 CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；100 mM MES 6.0, 8% PEG3350
Resolution 2.08 Å R-free 0.240
9XW4 Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor Deposited 2025-11-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded A1E1J 7-bromanyl-5-chloranyl-3-phenylazanyl-1-benzothiophene-2-carboxylic acid × 3 GOL GLYCEROL × 5 CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；100 mM MES 6.0, 8% PEG3350
Resolution 2.11 Å R-free 0.209
9XWT Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor Deposited 2025-11-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–254（254 aa）
Chain C 1–254（254 aa）
Not recorded A1E1M 7-bromanyl-5-chloranyl-1~{H}-indole-2-carboxylic acid × 3 GOL GLYCEROL × 3 CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；100 mM MES 6.0, 8% PEG3350
Resolution 2.28 Å R-free 0.249

32 other PDB entries and 37 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PGAM1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain B； PDBConstruct 1–254； UniProt 1–254 Author chain C； PDBConstruct 1–254； UniProt 1–254

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 22rl

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 22rl
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2. Structure Basics 2. Structure Basics

Entry ID entry_id22rl
Deposition date deposition_date2026-01-21
最后修订 last_revision2026-02-11
Structure title titlePhosphoglycerate mutase 1 complexed with a novel scaffold inhibitor
Keywords keywordsPGAM1, ISOMERASE, Inhibitor; ISOMERASE
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_guinier25.36 Å
Radius of gyration Rg (electron density) rg_electron24.75 Å
Forward intensity I(0) i097858800.00
Molecular weight molecular_weight51829.0 kDa
Excluded volume excluded_volume50006 ų
Envelope volume envelope_volume81448 ų
Hydration-shell volume shell_volume27705 ų
Envelope diameter envelope_diameter90.0 Å
Shell Rg shell_rg31.79 Å
Envelope Rg envelope_rg24.99 Å
Shape Rg shape_rg24.72 Å
Total Rg total_rg25.35 Å
Total atoms total_atoms3945
Residues n_residues477
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 dmax86.2 Å
Rg (real space) rg_real25.40 Å
Rg uncertainty (real space) rg_real_error0.72 Å
I(0) (real space) i0_real9.7860e+07
I(0) uncertainty (real space) i0_real_error1.4750e+06
Rg (reciprocal space) rg_reciprocal25.39 Å
I(0) (reciprocal space) i0_reciprocal97860000.0000
Solution quality estimate total_estimate0.8731
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary27.4 Å
Skewness Skewness skewness0.434
Kurtosis Kurtosis kurtosis-0.215
Angular range angular_range— – 0.3150 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha15940000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.809; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.926; Smooth: 0.994
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

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8. Citations (1)

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9. Files and Curves (10)