3UCI

Crystal structure of Rhodostomin ARLDDL mutant

PDB DOI: https://doi.org/10.2210/pdb3UCI/pdb

Classification: TOXIN
Organism(s): Calloselasma rhodostoma
Expression System: Komagataella pastoris
Mutation(s): Yes

Deposited: 2011-10-27 Released: 2012-11-21
Deposition Author(s): Shiu, J.H., Chen, C.Y., Chen, Y.C., Chang, Y.T., Chang, Y.S., Huang, C.H., Chuang, W.J.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.35 Å
R-Value Free: 0.189
R-Value Work: 0.145
R-Value Observed: 0.147

wwPDB Validation 3D Report Full Report

This is version 1.1 of the entry. See complete history.

Literature

Design of Integrin AlphaVbeta3-Specific Disintegrin for Cancer Therapy

Shiu, J.H., Chen, C.Y., Chen, Y.C., Chang, Y.T., Chang, Y.S., Huang, C.H., Chuang, W.J.

To be published.

Macromolecule Content

Total Structure Weight: 7.85 kDa
Atom Count: 638
Modelled Residue Count: 72
Deposited Residue Count: 72
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
disintegrin	A	72	Calloselasma rhodostoma	Mutation(s): 4 Gene Names: RHOD
UniProt
Find proteins for P30403 (Calloselasma rhodostoma) Explore P30403 Go to UniProtKB: P30403
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P30403
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.35 Å
R-Value Free: 0.189
R-Value Work: 0.145
R-Value Observed: 0.147
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 26.221	α = 90
b = 33.437	β = 90
c = 73.253	γ = 90

Software Package:

Software Name	Purpose
HKL-2000	data collection
CNS	refinement
REFMAC	refinement
HKL-2000	data reduction
HKL-2000	data scaling
CNS	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2012-11-21

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2012-11-21
Type: Initial release
Version 1.1: 2023-11-01
Changes: Data collection, Database references, 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.