8ca0

Macrophage inhibitory factor (MIF) in complex with small molecule PAV174

Method: SOLUTION NMR Dmax: 56.5 Å Quality: GOOD

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

Macrophage migration inhibitory factor

Homo sapiens

UniProt P14174

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 2–115 Chain B; UniProt 2–115 Chain C; UniProt 2–115 Not recorded VIU 1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine × 1 SOLUTION NMR NMR measurement conditions:pH 7.2;298 K;Ionic strength (raw mmCIF value) 20;Pressure 1 NMR sample composition:1.0 mM [U-13C; U-15N] MIF, 1.0 mM PAV, 100% D2O | 100% D2O Resolution not provided

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.

117 other PDB entries and 132 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MIF_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–114; UniProt 2–115 Author chain B; PDBConstruct 1–114; UniProt 2–115 Author chain C; PDBConstruct 1–114; UniProt 2–115

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 8ca0

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8ca0
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8ca0
Deposition date deposition_date2023-01-24
最后修订 last_revision2024-02-07
Structure title titleMacrophage inhibitory factor (MIF) in complex with small molecule PAV174
Keywords keywords;MIF, oxMIF, herpes, Alzheimer's disease, PROTEIN BINDING ;; PROTEIN BINDING
Experimental Method methodSOLUTION NMR

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

Radius of gyration Rg (Guinier) rg_guinier20.13
Radius of gyration Rg (electron density) rg_electron19.44
Forward intensity I(0) i0321964000.00
Molecular weight molecular_weight149470.0 kDa
Excluded volume excluded_volume187020 ų
Envelope volume envelope_volume63490 ų
Hydration-shell volume shell_volume25522 ų
Envelope diameter envelope_diameter59.7
Shell Rg shell_rg27.43
Envelope Rg envelope_rg19.93
Shape Rg shape_rg19.43
Total Rg total_rg19.76
Total atoms total_atoms20884
Residues n_residues1368
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 dmax56.5
Rg (real space) rg_real19.96
Rg uncertainty (real space) rg_real_error0.26
I(0) (real space) i0_real3.2200e+08
I(0) uncertainty (real space) i0_real_error4.0200e+06
Rg (reciprocal space) rg_reciprocal19.99
I(0) (reciprocal space) i0_reciprocal322000000.0000
Solution quality estimate total_estimate0.8349
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary27.4
Skewness Skewness skewness0.009
Kurtosis Kurtosis kurtosis-0.580
Angular range angular_range— – 0.3950 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3716000.0000
Real-space data points n_real_points71
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.954; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (2)

8. Citations (1)

9. Files and Curves (10)