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4e5d

2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex

Method: X-RAY DIFFRACTION Dmax: 69.5 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Luciferin 4-monooxygenase

OrganismNot specified

UniProt P08659

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 A； UniProt 1–550 Not recorded 0NJ 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 8.5；277 K；25% (v/v) PEG 400, 20% (v/v) PEG 3350, 0.1 M MgCl2, 0.1 M Tris, pH 8.5, vapor diffusion, temperature 277K Resolution 2.20 Å R-free 0.232

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 4E5D Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1BA3 FIREFLY LUCIFERASE IN COMPLEX WITH BROMOFORM Deposited 1998-04-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Not recorded MBR TRIBROMOMETHANE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions microbatch under oil；pH 7.8；283 K；2 MICROLITRE OF LUCIFERASE (20 MG/ML) IN 0.2M AMMONIUM SULFATE, 0.001M EDTA, 0.001M DTT, 10% GLYCEROL, 25% ETHYLENE GLYCOL, 0.025M TRIS-HCL PH7.8 + 2 MICROLITRE 0.5M LITHIUM SULFATE, 26% PEG 8000, 0.1M TRIS-HCL PH7.8 AT 10 DEGREES CELSIUS IN MICROBATCH UNDER OIL., microbatch under oil, temperature 283K
Resolution 2.20 Å R-free 0.239
1LCI FIREFLY LUCIFERASE Deposited 1996-06-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions microbatch under oil；pH 7.8；283 K；2 MICROLITRE OF LUCIFERASE (20 MG/ML) IN 0.2M AMMONIUM SULFATE, 0.001M EDTA, 0.001M DTT, 10% GLYCEROL, 25% ETHYLENE GLYCOL, 0.025M TRIS-HCL PH7.8 + 2 MICROLITRE 0.5M LITHIUM SULFATE, 26% PEG 8000, 0.1M TRIS-HCL PH7.8 AT 10 DEGREES CELSIUS IN MICROBATCH UNDER OIL. CRYOPROTECTANT SOLUTION: 8% PEG 8000, 10% GLYCEROL, 12.5% ETHYLENE GLYCOL, 0.1M TRIS-HCL PH7.8, microbatch under oil, temperature 283K
Resolution 2.00 Å R-free 0.265
3IEP Firefly luciferase apo structure (P41 form) Deposited 2009-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；30% PEG 1500, 8% MPD, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, temperature 277K
Resolution 2.10 Å R-free 0.221
3IER Firefly luciferase apo structure (P41 form) with PEG 400 bound Deposited 2009-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；25% PEG 400, 20% PEG 3350, 0.1M MgCl2, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, temperature 277K
Resolution 2.05 Å R-free 0.225
3IES Firefly luciferase inhibitor complex Deposited 2009-07-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Not recorded M24 5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；30% PEG 1500, 8% MPD, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, temperature 277K
Resolution 2.00 Å R-free 0.218
3RIX 1.7A resolution structure of a firefly luciferase-Aspulvinone J inhibitor complex Deposited 2011-04-14 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Not recorded 923 (5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；277 K；25% (v/v) PEG 400, 20% (v/v) PEG 3350, 0.1 M MgCl2, 0.1 M Tris, pH 8.5, vapor diffusion, temperature 277K
Resolution 1.70 Å R-free 0.218
4G36 Photinus pyralis luciferase in the adenylate-forming conformation bound to DLSA Deposited 2012-07-13 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Not recorded SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；300 mM Na/K Tartrate, 20% PEG 6000, 100 mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.62 Å R-free 0.238
4G36 Photinus pyralis luciferase in the adenylate-forming conformation bound to DLSA Deposited 2012-07-13 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–550（550 aa）
Not recorded SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；300 mM Na/K Tartrate, 20% PEG 6000, 100 mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.62 Å R-free 0.238
4G37 Structure of cross-linked firefly luciferase in second catalytic conformation Deposited 2012-07-13 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Mutation：C82S, I108C, T214A, A215L, C216A, I232A, C258S, F295L, E354K, C391S, Y447C SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 XLX 4,4'-(ethylenediimino)bis[4-oxobutyrate] × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；273 K；30 % PEG 4000, 50 mM NaCl, 50 mM HEPPS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 2.40 Å R-free 0.259
4G37 Structure of cross-linked firefly luciferase in second catalytic conformation Deposited 2012-07-13 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–550（550 aa）
Mutation：C82S, I108C, T214A, A215L, C216A, I232A, C258S, F295L, E354K, C391S, Y447C SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 XLX 4,4'-(ethylenediimino)bis[4-oxobutyrate] × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；273 K；30 % PEG 4000, 50 mM NaCl, 50 mM HEPPS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 2.40 Å R-free 0.259
5DV9 Crystal structure of the Luciferase Deposited 2015-09-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；293 K；Li2SO4, PEG 8000, Tris
Resolution 2.40 Å R-free 0.241
5DWV Crystal structure of the Luciferase complexed with substrate analogue Deposited 2015-09-23 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Not recorded 5J4 2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；293 K；Li2SO4, PEG8000, Tris
Resolution 2.30 Å R-free 0.228
5GYZ luciferase AMP/7-cy-L complex Deposited 2016-09-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–438（435 aa） Fragment：UNP residues 4-438
Not recorded 7BV (4S)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid × 1 AMP ADENOSINE MONOPHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；Sodium malonate, PEG3350
Resolution 2.40 Å R-free 0.227
5GZ2 luciferase complex with 7-cy-L Deposited 2016-09-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–438（436 aa） Fragment：UNP residues 3-438
Not recorded 7BV (4S)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；290 K；Sodium malonate , PEG3350
Resolution 2.00 Å R-free 0.239
5KYT Structure of Photinus pyralis Luciferase red light emitting variant Deposited 2016-07-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Mutation：S284T SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；23 % PEG 8000, 300 mM Na/K tartrate, 1.00 mM Tris
Resolution 2.00 Å R-free 0.218
5KYT Structure of Photinus pyralis Luciferase red light emitting variant Deposited 2016-07-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–550（550 aa）
Mutation：S284T SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；23 % PEG 8000, 300 mM Na/K tartrate, 1.00 mM Tris
Resolution 2.00 Å R-free 0.218
5KYV Structure of Photinus pyralis Luciferase green shifted light emitting variant Deposited 2016-07-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Mutation：V241I, G246A, F250S SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 TLA L(+)-TARTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；23 % PEG 8000, 200 mM Na/K tartrate, 1.00 mM Tris
Resolution 2.50 Å R-free 0.247
5KYV Structure of Photinus pyralis Luciferase green shifted light emitting variant Deposited 2016-07-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–550（550 aa）
Mutation：V241I, G246A, F250S SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；23 % PEG 8000, 200 mM Na/K tartrate, 1.00 mM Tris
Resolution 2.50 Å R-free 0.247
5WYS luciferase with inhibitor 3i Deposited 2017-01-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Not recorded 7V6 5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；293 K；0.5 M Li2SO4, 15% PEG8000, 0.1 M Tris
Resolution 3.00 Å R-free 0.270
6HPS Near-infrared dual bioluminescence imaging in vivo using infra-luciferin Deposited 2018-09-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–546（543 aa）
Not recorded GKH [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；150 mM ammonium sulfate, 50 mM HEPES pH 7.0, 2% PEG 1000
Resolution 3.10 Å R-free 0.333
6HPS Near-infrared dual bioluminescence imaging in vivo using infra-luciferin Deposited 2018-09-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 4–546（543 aa）
Not recorded GKH [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；150 mM ammonium sulfate, 50 mM HEPES pH 7.0, 2% PEG 1000
Resolution 3.10 Å R-free 0.333
6Q2M Crystal structure of Photinus pyralis Luciferase Pps6 mutant in complex with DLSA Deposited 2019-08-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–550（550 aa）
Mutation：T214N, A222C, Y255F, S276T, H332N, E354N SO4 SULFATE ION × 1 DYD (2S,5S)-hexane-2,5-diol × 2 EDO 1,2-ETHANEDIOL × 16 SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.05M EPPS pH 8.5, 25% PEG4000, 2% 2,5 Hexanediol
Resolution 2.75 Å R-free 0.218
6Q2M Crystal structure of Photinus pyralis Luciferase Pps6 mutant in complex with DLSA Deposited 2019-08-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–550（550 aa）
Mutation：T214N, A222C, Y255F, S276T, H332N, E354N SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 7 SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.05M EPPS pH 8.5, 25% PEG4000, 2% 2,5 Hexanediol
Resolution 2.75 Å R-free 0.218
6Q2M Crystal structure of Photinus pyralis Luciferase Pps6 mutant in complex with DLSA Deposited 2019-08-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–550（550 aa）
Mutation：T214N, A222C, Y255F, S276T, H332N, E354N SO4 SULFATE ION × 2 DYD (2S,5S)-hexane-2,5-diol × 2 EDO 1,2-ETHANEDIOL × 16 SLU 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.05M EPPS pH 8.5, 25% PEG4000, 2% 2,5 Hexanediol
Resolution 2.75 Å R-free 0.218

17 other PDB entries and 24 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name LUCI_PHOPY
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–550； UniProt 1–550

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 4e5d

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4e5d
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4e5d
Deposition date deposition_date2012-03-14
Structure title title2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex
Keywords keywords;OXIDOREDUCTASE, MONOOXYGENASE, PHOTOPROTEIN, LUMINESCENCE, profiling, PubChem, luciferase, quantitative high-throughput screening, qHTS, firefly luciferase, reporter-gene assays, adenylate forming enzymes, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex ;; OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
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_guinier22.24 Å
Radius of gyration Rg (electron density) rg_electron21.34 Å
Forward intensity I(0) i066231700.00
Molecular weight molecular_weight43505.0 kDa
Excluded volume excluded_volume42578 ų
Envelope volume envelope_volume66770 ų
Hydration-shell volume shell_volume25572 ų
Envelope diameter envelope_diameter72.1 Å
Shell Rg shell_rg28.57 Å
Envelope Rg envelope_rg21.51 Å
Shape Rg shape_rg21.34 Å
Total Rg total_rg21.99 Å
Total atoms total_atoms3302
Residues n_residues425
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 dmax69.5 Å
Rg (real space) rg_real22.13 Å
Rg uncertainty (real space) rg_real_error0.39 Å
I(0) (real space) i0_real6.6230e+07
I(0) uncertainty (real space) i0_real_error1.0080e+06
Rg (reciprocal space) rg_reciprocal22.16 Å
I(0) (reciprocal space) i0_reciprocal66230000.0000
Solution quality estimate total_estimate0.7152
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary27.4 Å
Skewness Skewness skewness0.181
Kurtosis Kurtosis kurtosis-0.471
Angular range angular_range— – 0.3550 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha14450000.0000
Real-space data points n_real_points67
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 0.189; Positv: 1.000; Valcen: 0.993; Smooth: 0.974
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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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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd4e5da_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.23 — Acetyl-CoA synthetase-like
Superfamily Superfamily superfamilye.23.1 — Acetyl-CoA synthetase-like
Family Family familye.23.1.1 — Acetyl-CoA synthetase-like

CATH v4.4 (1 domains)

Domain ID domain_id4e5dA00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily12780 — ANL, N-terminal domain
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8. Citations (1)

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9. Files and Curves (10)