5cor

X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) N-TERMINAL-SWITCH POLYMER

Method: X-RAY DIFFRACTION D_max: 110.1 Å Quality: GOOD

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

C-C motif chemokine 3

Homo sapiens

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 × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain A； UniProt 23–92 Chain C； UniProt 23–92 Chain E； UniProt 23–92 Chain G； UniProt 23–92 Chain I； UniProt 23–92	Not recorded	HEZ HEXANE-1,6-DIOL × 6 ACT ACETATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；291.16 K；0.01 M Cobalt (II) chloride hexahydrate, 0.1 M Sodium acetate trihydrate pH 4.6, 1.0 M 1,6-Hexanediol	Resolution 2.55 Å R-free 0.220
2	Protein homooligomer Homooligomer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain B； UniProt 23–92 Chain D； UniProt 23–92 Chain F； UniProt 23–92 Chain H； UniProt 23–92 Chain J； UniProt 23–92	Not recorded	HEZ HEXANE-1,6-DIOL × 4 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；291.16 K；0.01 M Cobalt (II) chloride hexahydrate, 0.1 M Sodium acetate trihydrate pH 4.6, 1.0 M 1,6-Hexanediol	Resolution 2.55 Å R-free 0.220

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 5COR	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1B50 NMR STRUCTURE OF HUMAN MIP-1A D26A, 10 STRUCTURES Deposited 1999-01-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 24–92（69 aa） Chain B 24–92（69 aa）	Mutation：D26A Mutation：D26A	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 3.5；318 K；Ionic strength (raw mmCIF value) NO ADDED SALT；Pressure 1 NMR sample composition 10% H2O/90% D2O	Resolution not provided
1B53 NMR STRUCTURE OF HUMAN MIP-1A D26A, MINIMIZED AVERAGE STRUCTURE Deposited 1999-01-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 24–92（69 aa） Chain B 24–92（69 aa）	Mutation：D26A Mutation：D26A	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 3.5；318 K；Ionic strength (raw mmCIF value) NO ADDED SALT；Pressure 1 NMR sample composition 10% H2O/90% D2O	Resolution not provided
2X69 X-ray Structure of Macrophage Inflammatory Protein-1 alpha polymer Deposited 2010-02-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 23–92（70 aa） Fragment：RESIDUES 23-92 Chain C 23–92（70 aa） Fragment：RESIDUES 23-92	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.65 Å R-free 0.265
2X69 X-ray Structure of Macrophage Inflammatory Protein-1 alpha polymer Deposited 2010-02-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 23–92（70 aa） Fragment：RESIDUES 23-92	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.65 Å R-free 0.265
2X69 X-ray Structure of Macrophage Inflammatory Protein-1 alpha polymer Deposited 2010-02-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain D 23–92（70 aa） Fragment：RESIDUES 23-92 Chain E 23–92（70 aa） Fragment：RESIDUES 23-92	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.65 Å R-free 0.265
2X6G X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A) Deposited 2010-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain Q 23–92（70 aa） Chain R 23–92（70 aa）	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M NH4AC, 0.1M HEPES (PH7.8), 26% PEG3350	Resolution 2.18 Å R-free 0.286
2X6G X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A) Deposited 2010-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain E 23–92（70 aa） Chain F 23–92（70 aa）	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M NH4AC, 0.1M HEPES (PH7.8), 26% PEG3350	Resolution 2.18 Å R-free 0.286
2X6G X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A) Deposited 2010-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain O 23–92（70 aa） Chain P 23–92（70 aa）	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M NH4AC, 0.1M HEPES (PH7.8), 26% PEG3350	Resolution 2.18 Å R-free 0.286
2X6G X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A) Deposited 2010-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 23–92（70 aa） Chain D 23–92（70 aa）	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M NH4AC, 0.1M HEPES (PH7.8), 26% PEG3350	Resolution 2.18 Å R-free 0.286
2X6G X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A) Deposited 2010-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain I 23–92（70 aa） Chain J 23–92（70 aa）	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M NH4AC, 0.1M HEPES (PH7.8), 26% PEG3350	Resolution 2.18 Å R-free 0.286
2X6G X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A) Deposited 2010-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 23–92（70 aa） Chain B 23–92（70 aa）	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M NH4AC, 0.1M HEPES (PH7.8), 26% PEG3350	Resolution 2.18 Å R-free 0.286
2X6G X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A) Deposited 2010-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain G 23–92（70 aa） Chain H 23–92（70 aa）	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M NH4AC, 0.1M HEPES (PH7.8), 26% PEG3350	Resolution 2.18 Å R-free 0.286
2X6G X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A) Deposited 2010-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain M 23–92（70 aa） Chain N 23–92（70 aa）	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M NH4AC, 0.1M HEPES (PH7.8), 26% PEG3350	Resolution 2.18 Å R-free 0.286
2X6G X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A) Deposited 2010-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 9 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain K 23–92（70 aa） Chain L 23–92（70 aa）	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M NH4AC, 0.1M HEPES (PH7.8), 26% PEG3350	Resolution 2.18 Å R-free 0.286
3FPU The crystallographic structure of the Complex between Evasin-1 and CCL3 Deposited 2009-01-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 24–92（69 aa）	Mutation：A10T	NI NICKEL (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.1；291 K；24% (w/v) PEG 3350, 200mM Ammonium sulfate, 100mM HEPES, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.76 Å R-free 0.285
3H44 Crystal Structure of Insulin Degrading Enzyme in Complex with macrophage inflammatory protein 1 alpha Deposited 2009-04-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 23–92（70 aa） Fragment：residues 23-92 Chain D 23–92（70 aa） Fragment：residues 23-92	Not recorded	DIO 1,4-DIETHYLENE DIOXIDE × 6 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；13% PEGMME 5000, 100mM HEPES, pH 7.0, 10%, Tacsimate, 10% dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 3.00 Å R-free 0.237
3H44 Crystal Structure of Insulin Degrading Enzyme in Complex with macrophage inflammatory protein 1 alpha Deposited 2009-04-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 23–92（70 aa） Fragment：residues 23-92 Chain D 23–92（70 aa） Fragment：residues 23-92	Not recorded	DIO 1,4-DIETHYLENE DIOXIDE × 6 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；13% PEGMME 5000, 100mM HEPES, pH 7.0, 10%, Tacsimate, 10% dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 3.00 Å R-free 0.237
3H44 Crystal Structure of Insulin Degrading Enzyme in Complex with macrophage inflammatory protein 1 alpha Deposited 2009-04-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 23–92（70 aa） Fragment：residues 23-92	Not recorded	DIO 1,4-DIETHYLENE DIOXIDE × 3 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；13% PEGMME 5000, 100mM HEPES, pH 7.0, 10%, Tacsimate, 10% dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 3.00 Å R-free 0.237
3H44 Crystal Structure of Insulin Degrading Enzyme in Complex with macrophage inflammatory protein 1 alpha Deposited 2009-04-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 23–92（70 aa） Fragment：residues 23-92	Not recorded	DIO 1,4-DIETHYLENE DIOXIDE × 3 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；13% PEGMME 5000, 100mM HEPES, pH 7.0, 10%, Tacsimate, 10% dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 3.00 Å R-free 0.237
3KBX Human macrophage inflammatory protein-1 alpha L3M_V63M Deposited 2009-10-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 23–92（70 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	K POTASSIUM ION × 2 ACT ACETATE ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.65 Å R-free 0.257
3KBX Human macrophage inflammatory protein-1 alpha L3M_V63M Deposited 2009-10-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 23–92（70 aa） Chain C 23–92（70 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.65 Å R-free 0.257
3KBX Human macrophage inflammatory protein-1 alpha L3M_V63M Deposited 2009-10-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain D 23–92（70 aa） Chain E 23–92（70 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.65 Å R-free 0.257
4RA8 Structure analysis of the Mip1a P8A mutant Deposited 2014-09-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 23–91（69 aa） Fragment：UNP residues 23-91	Mutation：P8A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.1 M Bis-Tris, pH 5.5, 2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.60 Å R-free 0.248
4RA8 Structure analysis of the Mip1a P8A mutant Deposited 2014-09-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 23–91（69 aa） Fragment：UNP residues 23-91 Chain C 23–91（69 aa） Fragment：UNP residues 23-91	Mutation：P8A Mutation：P8A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.1 M Bis-Tris, pH 5.5, 2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.60 Å R-free 0.248
4RA8 Structure analysis of the Mip1a P8A mutant Deposited 2014-09-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain D 23–91（69 aa） Fragment：UNP residues 23-91 Chain E 23–91（69 aa） Fragment：UNP residues 23-91	Mutation：P8A Mutation：P8A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.1 M Bis-Tris, pH 5.5, 2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.60 Å R-free 0.248
4ZKB The chemokine binding protein of orf virus complexed with CCL3 Deposited 2015-04-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 24–92（69 aa） Fragment：UNP residues 24-92	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；289 K；0.2M potassium sodium tartrate tetrahydrate, 0.1M sodium citrate tribasic dihydrate pH5.6, 2.0M ammonium citrate	Resolution 2.90 Å R-free 0.323
5D65 X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) WITH HEPARIN COMPLEX Deposited 2015-08-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 23–92（70 aa） Fragment：UNP residues 23-92 Chain B 23–92（70 aa） Fragment：UNP residues 23-92 Chain C 23–92（70 aa） Fragment：UNP residues 23-92 Chain D 23–92（70 aa） Fragment：UNP residues 23-92 Chain E 23–92（70 aa） Fragment：UNP residues 23-92	Not recorded	BGC beta-D-glucopyranose × 9 CL CHLORIDE ION × 2 GLC alpha-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291.15 K；0.1M Tris, pH 7.0; 1.8M (NH4)2SO4;	Resolution 3.10 Å R-free 0.243
7F1Q Cryo-EM structure of the chemokine receptor CCR5 in complex with MIP-1a and Gi Deposited 2021-06-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain R 24–92（69 aa）	Mutation：T15R,T112C,G259N	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.90 Å
7F1T Crystal structure of the human chemokine receptor CCR5 in complex with MIP-1a Deposited 2021-06-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 24–92（69 aa）	Mutation：T15C,T108C,C150Y,M156A,G255N,A376D,R417A,T427A,K446E	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；100mM HEPES, pH 6.0, 250mM ammonium sulfate, 30% (v/v) PEG 400, 8% (v/v) PPG 400	Resolution 2.60 Å R-free 0.271

12 other PDB entries and 29 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	CCL3_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–70； UniProt 23–92 Author chain B； PDBConstruct 1–70； UniProt 23–92 Author chain C； PDBConstruct 1–70； UniProt 23–92 Author chain D； PDBConstruct 1–70； UniProt 23–92 Author chain E； PDBConstruct 1–70； UniProt 23–92 Author chain F； PDBConstruct 1–70； UniProt 23–92 Author chain G； PDBConstruct 1–70； UniProt 23–92 Author chain H； PDBConstruct 1–70； UniProt 23–92 Author chain I； PDBConstruct 1–70； UniProt 23–92 Author chain J； PDBConstruct 1–70； UniProt 23–92

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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	5cor
Deposition date deposition_date	2015-07-20
Structure title title	X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) N-TERMINAL-SWITCH POLYMER
Keywords keywords	CC chemokine, CCL3, OLIGOMER, SIGNALING PROTEIN, CYTOKINE; CYTOKINE
Experimental Method method	X-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier	33.33 Å
Radius of gyration Rg (electron density) rg_electron	33.22 Å
Forward intensity I(0) i0	98045700.00
Molecular weight molecular_weight	78071.0 kDa
Excluded volume excluded_volume	97133 Å³
Envelope volume envelope_volume	130800 Å³
Hydration-shell volume shell_volume	34269 Å³
Envelope diameter envelope_diameter	118.3 Å
Shell Rg shell_rg	38.44 Å
Envelope Rg envelope_rg	33.02 Å
Shape Rg shape_rg	33.24 Å
Total Rg total_rg	33.58 Å
Total atoms total_atoms	5474
Residues n_residues	688
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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

Maximum dimension Dmax dmax	110.1 Å
Rg (real space) rg_real	33.57 Å
Rg uncertainty (real space) rg_real_error	0.88 Å
I(0) (real space) i0_real	9.8050e+07
I(0) uncertainty (real space) i0_real_error	1.5410e+06
Rg (reciprocal space) rg_reciprocal	33.48 Å
I(0) (reciprocal space) i0_reciprocal	98040000.0000
Solution quality estimate total_estimate	0.8676
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	36.7 Å
Skewness Skewness skewness	0.465
Kurtosis Kurtosis kurtosis	-0.328
Angular range angular_range	— – 0.2400 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	8490000.0000
Real-space data points n_real_points	49
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.886; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.907; Smooth: 0.710

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	C-C motif chemokine 3
Molecular weight formula_weight	7793.7 kDa
Source method src_method	man
Copy count entity_count	10

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H,I,J
Atom count atom_count	5613

ASLAADTPTACCFSYTSRQIPQNFIADYFETSSQCSKPGVIFLTKRSRQVCADPSEEWVQKYVSDLELSA

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	HEXANE-1,6-DIOL
Molecular weight formula_weight	118.2 kDa
Source method src_method	syn
Copy count entity_count	10

Entity 3 Entity 3 non-polymer

Description description	ACETATE ION
Molecular weight formula_weight	59.0 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	139

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7. Fold Classification (SCOP + CATH) 20 domains

SCOP 2.08 (10 domains)

Domain ID domain_id	d5cora_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.9 — IL8-like
Superfamily Superfamily superfamily	d.9.1 — Interleukin 8-like chemokines
Family Family family	d.9.1.1 — Interleukin 8-like chemokines

Domain ID domain_id	d5corb_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.9 — IL8-like
Superfamily Superfamily superfamily	d.9.1 — Interleukin 8-like chemokines
Family Family family	d.9.1.1 — Interleukin 8-like chemokines

Domain ID domain_id	d5corc_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.9 — IL8-like
Superfamily Superfamily superfamily	d.9.1 — Interleukin 8-like chemokines
Family Family family	d.9.1.1 — Interleukin 8-like chemokines

Domain ID domain_id	d5cord_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.9 — IL8-like
Superfamily Superfamily superfamily	d.9.1 — Interleukin 8-like chemokines
Family Family family	d.9.1.1 — Interleukin 8-like chemokines

Domain ID domain_id	d5core_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.9 — IL8-like
Superfamily Superfamily superfamily	d.9.1 — Interleukin 8-like chemokines
Family Family family	d.9.1.1 — Interleukin 8-like chemokines

Domain ID domain_id	d5corf_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.9 — IL8-like
Superfamily Superfamily superfamily	d.9.1 — Interleukin 8-like chemokines
Family Family family	d.9.1.1 — Interleukin 8-like chemokines

Domain ID domain_id	d5corg_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.9 — IL8-like
Superfamily Superfamily superfamily	d.9.1 — Interleukin 8-like chemokines
Family Family family	d.9.1.1 — Interleukin 8-like chemokines

Domain ID domain_id	d5corh_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.9 — IL8-like
Superfamily Superfamily superfamily	d.9.1 — Interleukin 8-like chemokines
Family Family family	d.9.1.1 — Interleukin 8-like chemokines

Domain ID domain_id	d5cori_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.9 — IL8-like
Superfamily Superfamily superfamily	d.9.1 — Interleukin 8-like chemokines
Family Family family	d.9.1.1 — Interleukin 8-like chemokines

Domain ID domain_id	d5corj_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.9 — IL8-like
Superfamily Superfamily superfamily	d.9.1 — Interleukin 8-like chemokines
Family Family family	d.9.1.1 — Interleukin 8-like chemokines

CATH v4.4 (10 domains)

Domain ID domain_id	5corA00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	5corB00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	5corC00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	5corD00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	5corE00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	5corF00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	5corG00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	5corH00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	5corI00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	40 —

Domain ID domain_id	5corJ00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	40 —

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8. Citations (2)

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Unit-cell length a length_a	57.073 Å
Unit-cell length b length_b	112.592 Å
Unit-cell length c length_c	179.074 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	40

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	2.548 Å
Low-resolution limit resolution_low	48.966 Å
R factor r_factor	0.1823
R_work r_work	0.1802
R_free r_free	0.2204

fit	/app/data/saxs_computation/co/5cor/5cor.fit
pddf	/app/data/pr_computation/co/5cor/5cor.pr.out
profile	/app/data/saxs_computation/co/5cor/5cor.dat