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5qsu

PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434926

Method: X-RAY DIFFRACTION Dmax: 131.4 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Cohesin subunit SA-1

Homo sapiens

UniProt Q8WVM7

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain C； UniProt 86–420 Not recorded O3D 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol Resolution 2.73 Å R-free 0.263
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 86–420 Not recorded No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol Resolution 2.73 Å R-free 0.263
3 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain B； UniProt 86–420 Not recorded No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol Resolution 2.73 Å R-free 0.263
4 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain D； UniProt 86–420 Not recorded No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol Resolution 2.73 Å R-free 0.263

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 5QSU Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
5QSM PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z57261895 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 459–915（457 aa）
Not recorded O2D 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.74 Å R-free 0.299
5QSM PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z57261895 Deposited 2019-05-25 Different construct Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.74 Å R-free 0.299
5QSN PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z1272480091 Deposited 2019-05-25 Different construct Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.66 Å R-free 0.288
5QSN PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z1272480091 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 459–915（457 aa）
Not recorded O2J (2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.66 Å R-free 0.288
5QSO PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z466628048 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 459–915（457 aa）
Not recorded O2M N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.70 Å R-free 0.295
5QSO PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z466628048 Deposited 2019-05-25 Different construct Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.70 Å R-free 0.295
5QSP PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434929 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 459–915（457 aa）
Not recorded LVV 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.89 Å R-free 0.263
5QSP PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434929 Deposited 2019-05-25 Different construct Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.89 Å R-free 0.263
5QSQ PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z396380540 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 459–915（457 aa）
Not recorded HR5 ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.48 Å R-free 0.289
5QSQ PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z396380540 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 459–915（457 aa）
Not recorded HR5 ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.48 Å R-free 0.289
5QSR PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z136583524 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 459–915（457 aa）
Not recorded NU4 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 3.28 Å R-free 0.294
5QSR PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z136583524 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 459–915（457 aa）
Not recorded NU4 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 3.28 Å R-free 0.294
5QSS PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z33452282 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 459–915（457 aa）
Not recorded O2P N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 3.08 Å R-free 0.296
5QSS PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z33452282 Deposited 2019-05-25 Different construct Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 3.08 Å R-free 0.296
5QST PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438 Deposited 2019-05-25 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 86–420（335 aa）
Not recorded O3A (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.58 Å R-free 0.271
5QST PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438 Deposited 2019-05-25 Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.58 Å R-free 0.271
5QST PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438 Deposited 2019-05-25 Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.58 Å R-free 0.271
5QST PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438 Deposited 2019-05-25 Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.58 Å R-free 0.271
5QSV PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434783 Deposited 2019-05-25 Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.76 Å R-free 0.264
5QSV PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434783 Deposited 2019-05-25 Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.76 Å R-free 0.264
5QSV PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434783 Deposited 2019-05-25 Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.76 Å R-free 0.264
5QSV PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434783 Deposited 2019-05-25 Different ligand/ion Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 86–420（335 aa）
Not recorded O3G N-benzyl-1-(4-fluorophenyl)methanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.76 Å R-free 0.264
5QSW PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434884 Deposited 2019-05-25 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 86–420（335 aa）
Not recorded O3J 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 3.03 Å R-free 0.267
5QSW PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434884 Deposited 2019-05-25 Different ligand/ion Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 86–420（335 aa）
Not recorded O3J 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 3.03 Å R-free 0.267
5QSW PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434884 Deposited 2019-05-25 Different ligand/ion Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 86–420（335 aa）
Not recorded O3J 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 3.03 Å R-free 0.267
5QSW PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434884 Deposited 2019-05-25 Different ligand/ion Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 86–420（335 aa）
Not recorded O3J 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 3.03 Å R-free 0.267
5QSX PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434812 Deposited 2019-07-16 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 86–420（335 aa）
Not recorded O3M 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.34 Å R-free 0.275
5QSX PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434812 Deposited 2019-07-16 Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.34 Å R-free 0.275
5QSX PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434812 Deposited 2019-07-16 Different ligand/ion Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 86–420（335 aa）
Not recorded O3M 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.34 Å R-free 0.275
5QSX PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434812 Deposited 2019-07-16 Different ligand/ion Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 86–420（335 aa）
Not recorded O3M 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.34 Å R-free 0.275
5QSY PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z755044716 Deposited 2019-05-25 Different construct Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.40 Å R-free 0.297
5QSY PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z755044716 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 459–915（457 aa）
Not recorded K0J N-ethyl-1H-1,2,3-triazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.40 Å R-free 0.297
5QSZ PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z1267773786 Deposited 2019-05-25 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 459–915（457 aa）
Not recorded K3J N-ethyl-6-methylpyridazin-3-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 3.08 Å R-free 0.292
5QSZ PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z1267773786 Deposited 2019-05-25 Different construct Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 3.08 Å R-free 0.292
6QB5 Crystal structure of the N-terminal region of human cohesin subunit STAG1 Deposited 2018-12-20 Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M Na/K Phosphate pH 6.0, 0.2 M NaCl, 34% PEG200
Resolution 2.02 Å R-free 0.245
6QB5 Crystal structure of the N-terminal region of human cohesin subunit STAG1 Deposited 2018-12-20 Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M Na/K Phosphate pH 6.0, 0.2 M NaCl, 34% PEG200
Resolution 2.02 Å R-free 0.245
6QB5 Crystal structure of the N-terminal region of human cohesin subunit STAG1 Deposited 2018-12-20 Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M Na/K Phosphate pH 6.0, 0.2 M NaCl, 34% PEG200
Resolution 2.02 Å R-free 0.245
6QB5 Crystal structure of the N-terminal region of human cohesin subunit STAG1 Deposited 2018-12-20 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 86–420（335 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M Na/K Phosphate pH 6.0, 0.2 M NaCl, 34% PEG200
Resolution 2.02 Å R-free 0.245
6R7O Crystal structure of the central region of human cohesin subunit STAG1 Deposited 2019-03-29 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.31 Å R-free 0.264
6R7O Crystal structure of the central region of human cohesin subunit STAG1 Deposited 2019-03-29 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1 M Bis Tris Propane pH 7.0, 0.2 M Sodium Malonate, 20 % PEG 3350, 10 % Ethylene Glycol
Resolution 2.31 Å R-free 0.264
6RRC Crystal structure of the N-terminal region of human cohesin subunit STAG1 in complex with RAD21 peptide Deposited 2019-05-17 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 86–420（335 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；277 K；2.1 M Ammonium Sulfate, 0.1 M MES pH 6.3
Resolution 2.37 Å R-free 0.248
6RRC Crystal structure of the N-terminal region of human cohesin subunit STAG1 in complex with RAD21 peptide Deposited 2019-05-17 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 86–420（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；277 K；2.1 M Ammonium Sulfate, 0.1 M MES pH 6.3
Resolution 2.37 Å R-free 0.248
6RRK Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide Deposited 2019-05-20 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；16 % PEG 3350, 0.2 M DL-Mallic acid
Resolution 3.17 Å R-free 0.278
6RRK Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide Deposited 2019-05-20 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 459–915（457 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；16 % PEG 3350, 0.2 M DL-Mallic acid
Resolution 3.17 Å R-free 0.278
6WG3 Cryo-EM structure of human Cohesin-NIPBL-DNA complex Deposited 2020-04-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 5 PDB declaration: heptameric
Chain D 1–1258（1258 aa）
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.30 Å
7W1M Cryo-EM structure of human cohesin-CTCF-DNA complex Deposited 2021-11-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric
Chain D 1–1258（1258 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 2 BEF BERYLLIUM TRIFLUORIDE ION × 2 ZN ZINC ION × 11 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.50 Å

19 other PDB entries and 46 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name STAG1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 5–339； UniProt 86–420 Author chain B； PDBConstruct 5–339； UniProt 86–420 Author chain C； PDBConstruct 5–339； UniProt 86–420 Author chain D； PDBConstruct 5–339； UniProt 86–420

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 5qsu

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5qsu
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5qsu
Deposition date deposition_date2019-05-25
Structure title titlePanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434926
Keywords keywordsSGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRANSCRIPTION; TRANSCRIPTION
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_guinier40.42 Å
Radius of gyration Rg (electron density) rg_electron40.03 Å
Forward intensity I(0) i0303152000.00
Molecular weight molecular_weight142990.0 kDa
Excluded volume excluded_volume179560 ų
Envelope volume envelope_volume258700 ų
Hydration-shell volume shell_volume54288 ų
Envelope diameter envelope_diameter133.7 Å
Shell Rg shell_rg45.41 Å
Envelope Rg envelope_rg39.11 Å
Shape Rg shape_rg40.05 Å
Total Rg total_rg40.26 Å
Total atoms total_atoms10028
Residues n_residues1240
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 dmax131.4 Å
Rg (real space) rg_real40.31 Å
Rg uncertainty (real space) rg_real_error1.05 Å
I(0) (real space) i0_real3.0320e+08
I(0) uncertainty (real space) i0_real_error4.7520e+06
Rg (reciprocal space) rg_reciprocal40.42 Å
I(0) (reciprocal space) i0_reciprocal303200000.0000
Solution quality estimate total_estimate0.9036
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary50.5 Å
Skewness Skewness skewness0.148
Kurtosis Kurtosis kurtosis-0.581
Angular range angular_range— – 0.1950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha19060000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.930; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.953
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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8. Citations (1)

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9. Files and Curves (10)