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2cqv

Solution structure of the eighth Ig-like domain of human myosin light chain kinase

Method: SOLUTION NMR Dmax: 48.9 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Myosin light chain kinase, smooth muscle and non-muscle isozymes

Homo sapiens

UniProt Q15746

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 1238–1338 Fragment：Immunoglobulin I-set domain No other associated polymer SOLUTION NMR NMR measurement conditions：pH 7；293 K；Ionic strength (raw mmCIF value) 120mM；Pressure ambient NMR sample composition：1.64mM 13C, 15N-labeled protein; 20mM d-Tris-HCl (pH7.0); 100mM NaCl; 1mM DTT; 0.02% NaN3 | 90% H2O/10% 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.

Other PDB Difference from Current Entry 2CQV Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
2K0F Calmodulin complexed with calmodulin-binding peptide from smooth muscle myosin light chain kinase Deposited 2008-02-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1742–1760（19 aa）
Not recorded CA CALCIUM ION × 4 SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
2YR3 Solution structure of the fourth Ig-like domain from myosin light chain kinase, smooth muscle Deposited 2007-04-02 Different construct Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 510–601（92 aa） Fragment：Ig domain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 120mM；Pressure ambient
NMR sample composition 1.13mM 13C, 15N-labeled protein; 20mM d-Tris-HCl (pH 7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
5JQA CaM:RM20 complex Deposited 2016-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1691–1710（20 aa） Fragment：UNP residues 1691-1710
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1 M sodium acetate, pH 4.6, 25% w/v PEG4000
Resolution 1.80 Å R-free 0.188
5JTH Crystal structure of E67A calmodulin - CaM:RM20 analog complex Deposited 2016-05-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1691–1710（20 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1M Sodium Acetate pH 4.6, 25%(w/v) PEG 4000, 20mM CaCl2
Resolution 1.84 Å R-free 0.196
6C6M IgCam3 of human MLCK1 Deposited 2018-01-19 Different construct Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 405–507（103 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；200mM ammonium dihydrogen phosphate, 20% PEG3350
Resolution 2.50 Å R-free 0.272
6C6M IgCam3 of human MLCK1 Deposited 2018-01-19 Different construct Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 405–507（103 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；200mM ammonium dihydrogen phosphate, 20% PEG3350
Resolution 2.50 Å R-free 0.272
6C6M IgCam3 of human MLCK1 Deposited 2018-01-19 Different construct Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 405–507（103 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；200mM ammonium dihydrogen phosphate, 20% PEG3350
Resolution 2.50 Å R-free 0.272
9MVW Crystal structure of S101F calmodulin - CaM:RM20 analog complex Deposited 2025-01-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1691–1710（20 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；295 K；0.1M Sodium Acetate pH 4.6, 25%(w/v) PEG 4000, 20mM CaCl2
Resolution 1.58 Å R-free 0.237
9MXD Human E104A calmodulin:MLCK RM20 complex Deposited 2025-01-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1742–1761（20 aa）
Not recorded CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；0.1M Sodium Acetate pH 4.6, 25%(w/v) PEG 4000, 20mM CaCl2
Resolution 1.17 Å R-free 0.178

7 other PDB entries and 9 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MYLK_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 8–108； UniProt 1238–1338

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 2cqv

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2cqv
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2cqv
Deposition date deposition_date2005-05-20
Structure title titleSolution structure of the eighth Ig-like domain of human myosin light chain kinase
Keywords keywords;Ig fold, MLCK, Structural Genomics, NPPSFA, National Project on Protein Structural and Functional Analyses, RIKEN Structural Genomics/Proteomics Initiative, RSGI, CONTRACTILE PROTEIN ;; CONTRACTILE PROTEIN
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier17.77 Å
Radius of gyration Rg (electron density) rg_electron17.49 Å
Forward intensity I(0) i0917274000.00
Molecular weight molecular_weight244540.0 kDa
Excluded volume excluded_volume301740 ų
Envelope volume envelope_volume53440 ų
Hydration-shell volume shell_volume18930 ų
Envelope diameter envelope_diameter90.5 Å
Shell Rg shell_rg30.25 Å
Envelope Rg envelope_rg28.90 Å
Shape Rg shape_rg17.49 Å
Total Rg total_rg17.76 Å
Total atoms total_atoms34080
Residues n_residues2280
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 dmax48.9 Å
Rg (real space) rg_real16.28 Å
Rg uncertainty (real space) rg_real_error0.10 Å
I(0) (real space) i0_real8.7170e+08
I(0) uncertainty (real space) i0_real_error8.1240e+06
Rg (reciprocal space) rg_reciprocal18.23 Å
I(0) (reciprocal space) i0_reciprocal917200000.0000
Solution quality estimate total_estimate0.6655
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary16.9 Å
Skewness Skewness skewness0.520
Kurtosis Kurtosis kurtosis-0.265
Angular range angular_range— – 0.4500 Å−1
Current regularization parameter α current_alpha2.4480
Highest regularization parameter α highest_alpha423900.0000
Real-space data points n_real_points76
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.004; Oscil: 0.911; Stabil: 0.992; Sysdev: 0.000; Positv: 1.000; Valcen: 0.946; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd2cqva1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.4 — I set domains
Domain ID domain_idd2cqva2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd2cqva3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (1 domains)

Domain ID domain_id2cqvA00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
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8. Citations (1)

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9. Files and Curves (10)