7ee8

The crystal structure of MIF bound to compound D5

Method: X-RAY DIFFRACTION Dmax: 58.6 Å Quality: EXCELLENT

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 CL CHLORIDE ION × 9 7Y8 3-[(2R)-2-azanyl-1-oxidanyl-propyl]phenol × 1 J23 3-[(2S)-2-azanyl-1-oxidanyl-propyl]phenol × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;310 K;2.0M Ammonium sulfate, pH7.50 Resolution 1.22 Å R-free 0.242

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 7ee8

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7ee8
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7ee8
Deposition date deposition_date2021-03-17
Structure title titleThe crystal structure of MIF bound to compound D5
Keywords keywordstautomerase, ISOMERASE; ISOMERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier19.77
Radius of gyration Rg (electron density) rg_electron18.74
Forward intensity I(0) i046174300.00
Molecular weight molecular_weight34989.0 kDa
Excluded volume excluded_volume33587 ų
Envelope volume envelope_volume52438 ų
Hydration-shell volume shell_volume22519 ų
Envelope diameter envelope_diameter56.9
Shell Rg shell_rg25.84
Envelope Rg envelope_rg18.81
Shape Rg shape_rg18.74
Total Rg total_rg19.41
Total atoms total_atoms2628
Residues n_residues342
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 dmax58.6
Rg (real space) rg_real19.57
Rg uncertainty (real space) rg_real_error0.27
I(0) (real space) i0_real4.6170e+07
I(0) uncertainty (real space) i0_real_error5.5040e+05
Rg (reciprocal space) rg_reciprocal19.60
I(0) (reciprocal space) i0_reciprocal46180000.0000
Solution quality estimate total_estimate0.9037
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.4
Skewness Skewness skewness0.020
Kurtosis Kurtosis kurtosis-0.567
Angular range angular_range— – 0.4000 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha8976000.0000
Real-space data points n_real_points72
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.928; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.990

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

8. Citations (1)

9. Files and Curves (10)