6ps8

XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin.

Method: X-RAY DIFFRACTION
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase

Homo sapiens

UniProt P48039

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Insufficient information Monomer Protein 1 N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name MTR1A_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 3–209; UniProt 12–218 Author chain A; PDBConstruct 406–503; UniProt 228–325

Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase

Homo sapiens

UniProt Q9V2J8

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Insufficient information Monomer Protein 1 N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide × 1 Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence
UniProt name Q9V2J8_PYRAB
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 210–405; UniProt 218–413

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id6ps8
Deposition date deposition_date2019-07-12
Structure title titleXFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin.
Keywords keywordsGPCR, COMPLEX-LCP method, SBDD, drug design, XFEL, LCP-SFX, Ligand Exchange, Agomelatine, 2-phenyl melatonin, MEMBRANE PROTEIN, MT1; MEMBRANE PROTEIN
Experimental Method methodX-RAY DIFFRACTION
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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

6ps8__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

6ps8__assembly_1__model_1 | I(q)

10-2 10-1 105 106 107 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

6ps8__assembly_1__model_1 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg(Guinier)30.71 Å
Rg (electron density)29.86 Å
Total Rg30.34 Å
Atom count3671
Residues485
Excluded volume66341 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 6ps8__assembly_1__model_1 monomeric (1) Success 4.1.3-1-20251215 (887e7ef) View Download
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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (2)

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7. Citations (1)