4iq2

P21 crystal form of FKBP12.6

Method: X-RAY DIFFRACTION Dmax: 65.8 Å Quality: GOOD

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

Peptidyl-prolyl cis-trans isomerase FKBP1B

Homo sapiens

UniProt P68106

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 2–108 Mutation:C22V, C76I MLA MALONIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7;298 K;2.0 M malonic acid, pH 7.0, 4% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.70 Å R-free 0.251
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 2–108 Mutation:C22V, C76I No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7;298 K;2.0 M malonic acid, pH 7.0, 4% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.70 Å R-free 0.251

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 118 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FKB1B_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–107; UniProt 2–108 Author chain B; PDBConstruct 1–107; UniProt 2–108

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 4iq2

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4iq2
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4iq2
Deposition date deposition_date2013-01-10
Structure title titleP21 crystal form of FKBP12.6
Keywords keywordsFKBP12.6, ISOMERASE; ISOMERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier19.40
Radius of gyration Rg (electron density) rg_electron18.55
Forward intensity I(0) i09834320.00
Molecular weight molecular_weight23423.0 kDa
Excluded volume excluded_volume29467 ų
Envelope volume envelope_volume34989 ų
Hydration-shell volume shell_volume16248 ų
Envelope diameter envelope_diameter66.6
Shell Rg shell_rg24.16
Envelope Rg envelope_rg18.81
Shape Rg shape_rg18.54
Total Rg total_rg19.48
Total atoms total_atoms1651
Residues n_residues214
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 dmax65.8
Rg (real space) rg_real19.36
Rg uncertainty (real space) rg_real_error0.40
I(0) (real space) i0_real9.8340e+06
I(0) uncertainty (real space) i0_real_error1.1560e+05
Rg (reciprocal space) rg_reciprocal19.37
I(0) (reciprocal space) i0_reciprocal9834000.0000
Solution quality estimate total_estimate0.8780
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary22.2
Skewness Skewness skewness0.292
Kurtosis Kurtosis kurtosis-0.376
Angular range angular_range— – 0.4100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1673000.0000
Real-space data points n_real_points72
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.813; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.995

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd4iq2a_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.26 — FKBP-like
Superfamily Superfamily superfamilyd.26.1 — FKBP-like
Family Family familyd.26.1.1 — FKBP immunophilin/proline isomerase
Domain ID domain_idd4iq2b_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.26 — FKBP-like
Superfamily Superfamily superfamilyd.26.1 — FKBP-like
Family Family familyd.26.1.1 — FKBP immunophilin/proline isomerase

CATH v4.4 (2 domains)

Domain ID domain_id4iq2A00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology50 — Chitinase A; domain 3
Homologous superfamily homologous superfamily40
Domain ID domain_id4iq2B00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology50 — Chitinase A; domain 3
Homologous superfamily homologous superfamily40

8. Citations (1)

9. Files and Curves (10)