1SL9

Obelin from Obelia longissima

PDB DOI: https://doi.org/10.2210/pdb1SL9/pdb

Classification: LUMINESCENT PROTEIN
Organism(s): Obelia longissima
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2004-03-05 Released: 2005-07-19
Deposition Author(s): Deng, L., Markova, S., Vysotski, E., Liu, Z.-J., Lee, J., Rose, J., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.17 Å
R-Value Free: 0.196
R-Value Work: 0.157
R-Value Observed: 0.163

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.4 of the entry. See complete history.

Literature

Obelin from Obelia longissima

Deng, L., Markova, S., Vysotski, E., Liu, Z.-J., Lee, J., Rose, J., Wang, B.-C., Southeast Collaboratory for Structural Genomics

To be published.

Macromolecule Content

Total Structure Weight: 22.69 kDa
Atom Count: 1,762
Modelled Residue Count: 186
Deposited Residue Count: 195
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Obelin	A	195	Obelia longissima	Mutation(s): 1
UniProt
Find proteins for Q27709 (Obelia longissima) Explore Q27709 Go to UniProtKB: Q27709
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q27709
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
CZH Query on CZH Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A]	B [auth A]	C2-HYDROPEROXY-COELENTERAZINE C₂₆ H₂₁ N₃ O₅ HOSWCJDTHOAORT-SANMLTNESA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.17 Å
R-Value Free: 0.196
R-Value Work: 0.157
R-Value Observed: 0.163
Space Group: C 1 2 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 83.021	α = 90
b = 54.341	β = 112.15
c = 52.442	γ = 90

Software Package:

Software Name	Purpose
SHELX	model building
SHELXL-97	refinement
CNS	phasing

Structure Validation

View Full Validation Report

Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2005-07-19

Deposition Author(s):

Southeast Collaboratory for Structural Genomics (SECSG)

Revision History (Full details and data files)

Version 1.0: 2005-07-19
Type: Initial release
Version 1.1: 2008-04-29
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2021-10-27
Changes: Database references, Derived calculations
Version 1.4: 2023-08-23
Changes: Data collection, Refinement description

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.