6zpl

Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions.

Method: X-RAY DIFFRACTION Dmax: 130.9 Å Quality: GOOD

1. Protein Identity and Related Structures Protein Identity & Related Structures

Sodium- and chloride-dependent glycine transporter 1

Homo sapiens

UniProt P48067

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 heterocomplex Heteromer Protein × 5 PDB declaration: pentameric(5) Consistent with protein copy count Chain A; UniProt 92–684 Chain B; UniProt 92–684 Mutation:;L153A, S297A, I368A, C633A. N-terminal deletion of residues 1-91 and residues 9-281 of Lichenase (PDB ID 2CIT) have been fused at the N-terminal. C- terminal deletion of residues 685-706 as well as a deletion in the extracellular loop 2 (EL2) between residues 240-256. ; Endoglucanase H × 1 (P16218) Sybody Sb_GlyT1#7 × 2 QET [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone × 2 NA SODIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:LIPIDIC CUBIC PHASE;pH 7;292.75 K;Crystals appeared in 3-10 days in 0.1 M ADA pH 7, 13-25% PEG600, 4-14% v/v, 1,3-Butanediol with the longest dimension of 2-5 um. Resolution 3.94 Å R-free 0.291

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.

8 other PDB entries and 8 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SC6A9_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–576; UniProt 92–684 Author chain B; PDBConstruct 1–576; UniProt 92–684

Endoglucanase H

Hungateiclostridium thermocellum (strain ATCC 27405 / DSM 1237 / JCM 9322 / NBRC 103400 / NCIMB 10682 / NRRL B-4536 / VPI 7372)

UniProt P16218

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 heterocomplex Heteromer Protein × 5 PDB declaration: pentameric(5) Consistent with protein copy count Chain C; UniProt 31–303 Not recorded Sodium- and chloride-dependent glycine transporter 1 × 2 (P48067) Sybody Sb_GlyT1#7 × 2 QET [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone × 2 NA SODIUM ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:LIPIDIC CUBIC PHASE;pH 7;292.75 K;Crystals appeared in 3-10 days in 0.1 M ADA pH 7, 13-25% PEG600, 4-14% v/v, 1,3-Butanediol with the longest dimension of 2-5 um. Resolution 3.94 Å R-free 0.291

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.

19 other PDB entries and 26 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name GUNH_HUNT2
Isoform
PDB entities 2
Chains and sequence ranges Author chain C; PDBConstruct 1–273; UniProt 31–303

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 6zpl

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6zpl
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6zpl
Deposition date deposition_date2020-07-08
Structure title titleInward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions.
Keywords keywords;secondary active transport, neurotransmitter-sodium symport, amino acid transport, SLC6A9, inward open state, inhibitor bound complex, MEMBRANE PROTEIN ;; MEMBRANE PROTEIN
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier43.29
Radius of gyration Rg (electron density) rg_electron42.20
Forward intensity I(0) i0405461000.00
Molecular weight molecular_weight176770.0 kDa
Excluded volume excluded_volume225050 ų
Envelope volume envelope_volume306630 ų
Hydration-shell volume shell_volume59411 ų
Envelope diameter envelope_diameter139.0
Shell Rg shell_rg49.11
Envelope Rg envelope_rg40.98
Shape Rg shape_rg42.21
Total Rg total_rg42.53
Total atoms total_atoms24610
Residues n_residues1561
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −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

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax130.9
Rg (real space) rg_real43.05
Rg uncertainty (real space) rg_real_error0.88
I(0) (real space) i0_real4.0550e+08
I(0) uncertainty (real space) i0_real_error7.0350e+06
Rg (reciprocal space) rg_reciprocal43.29
I(0) (reciprocal space) i0_reciprocal405600000.0000
Solution quality estimate total_estimate0.8951
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary65.5
Skewness Skewness skewness-0.052
Kurtosis Kurtosis kurtosis-0.723
Angular range angular_range— – 0.1800 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha44140000.0000
Real-space data points n_real_points37
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.914; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.891

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id6zplE01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6zplF01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)