5WTI | pdb_00005wti

Crystal structure of the CRISPR-associated protein in complex with crRNA and DNA

PDB DOI: https://doi.org/10.2210/pdb5WTI/pdb
NAKB: 5WTI

Classification: Hydrolase/DNA/RNA
Organism(s): Lobariella soredians, Caldibacillus thermoamylovorans, RNA transcription vector pBRDI1
Expression System: Escherichia coli, RNA transcription vector pBRDI1
Mutation(s): No

Deposited: 2016-12-13 Released: 2017-11-01
Deposition Author(s): Wu, D., Guan, X., Zhu, Y., Huang, Z.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.68 Å
R-Value Free:
0.264 (Depositor), 0.264 (DCC)
R-Value Work:
0.217 (Depositor), 0.216 (DCC)
R-Value Observed:
0.218 (Depositor)

wwPDB Validation 3D Report Full Report

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

Literature

Structural basis of stringent PAM recognition by CRISPR-C2c1 in complex with sgRNA

Wu, D., Guan, X., Zhu, Y., Ren, K., Huang, Z.

(2017) Cell Res 27: 705-708

PubMed: 28374750 Search on PubMedSearch on PubMed Central
DOI: https://doi.org/10.1038/cr.2017.46
Primary Citation of Related Structures:
5WTI

Organizational Affiliation

HIT Center for Life Sciences, School of Life Science and Technology, Harbin Institute of Technology, Harbin 150080, China.

Macromolecule Content

Total Structure Weight: 183.35 kDa
Atom Count: 11,276
Modelled Residue Count: 1,136
Deposited Residue Count: 1,272
Unique protein chains: 1
Unique nucleic acid chains: 3

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 3
Molecule	Chains	Sequence Length	Organism	Details	Image
CRISPR-associated protein	C [auth Z]	1,108	Caldibacillus thermoamylovorans	Mutation(s): 0 Gene Names: B4166_3744, B4167_2499
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations Expand
Reference Sequence LOADING

Entity ID: 1
Molecule	Chains	Length	Organism	Image
DNA (28-MER)	A [auth E]	29	Lobariella soredians
Sequence Annotations Expand
Reference Sequence LOADING

Entity ID: 2
Molecule	Chains	Length	Organism	Image
DNA (5'-D(PGPTPGPTPGPGPAPTPTPCPCPG)-3')	B [auth H]	12	Lobariella soredians
Sequence Annotations Expand
Reference Sequence LOADING

Entity ID: 4
Molecule	Chains	Length	Organism	Image
RNA (123-MER)	D [auth B]	123	RNA transcription vector pBRDI1
Sequence Annotations Expand
Reference Sequence LOADING

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
MG Query on MG Download Ideal Coordinates CCD File SDF format, chain AA [auth B] SDF format, chain CA [auth B] SDF format, chain DA [auth B] SDF format, chain W [auth B] SDF format, chain BA [auth B] SDF format, chain E SDF format, chain F [auth H] SDF format, chain G [auth Z] SDF format, chain H [auth Z] SDF format, chain I [auth Z] SDF format, chain J [auth Z] SDF format, chain K [auth Z] SDF format, chain L [auth B] SDF format, chain M [auth B] SDF format, chain N [auth B] SDF format, chain O [auth B] SDF format, chain P [auth B] SDF format, chain Q [auth B] SDF format, chain R [auth B] SDF format, chain S [auth B] SDF format, chain T [auth B] SDF format, chain U [auth B] SDF format, chain V [auth B] SDF format, chain X [auth B] SDF format, chain Y [auth B] SDF format, chain Z [auth B] MOL2 format, chain AA [auth B] MOL2 format, chain CA [auth B] MOL2 format, chain DA [auth B] MOL2 format, chain W [auth B] MOL2 format, chain BA [auth B] MOL2 format, chain E MOL2 format, chain F [auth H] MOL2 format, chain G [auth Z] MOL2 format, chain H [auth Z] MOL2 format, chain I [auth Z] MOL2 format, chain J [auth Z] MOL2 format, chain K [auth Z] MOL2 format, chain L [auth B] MOL2 format, chain M [auth B] MOL2 format, chain N [auth B] MOL2 format, chain O [auth B] MOL2 format, chain P [auth B] MOL2 format, chain Q [auth B] MOL2 format, chain R [auth B] MOL2 format, chain S [auth B] MOL2 format, chain T [auth B] MOL2 format, chain U [auth B] MOL2 format, chain V [auth B] MOL2 format, chain X [auth B] MOL2 format, chain Y [auth B] MOL2 format, chain Z [auth B] mmCIF format, chain AA [auth B] mmCIF format, chain CA [auth B] mmCIF format, chain DA [auth B] mmCIF format, chain W [auth B] mmCIF format, chain BA [auth B] mmCIF format, chain E mmCIF format, chain F [auth H] mmCIF format, chain G [auth Z] mmCIF format, chain H [auth Z] mmCIF format, chain I [auth Z] mmCIF format, chain J [auth Z] mmCIF format, chain K [auth Z] mmCIF format, chain L [auth B] mmCIF format, chain M [auth B] mmCIF format, chain N [auth B] mmCIF format, chain O [auth B] mmCIF format, chain P [auth B] mmCIF format, chain Q [auth B] mmCIF format, chain R [auth B] mmCIF format, chain S [auth B] mmCIF format, chain T [auth B] mmCIF format, chain U [auth B] mmCIF format, chain V [auth B] mmCIF format, chain X [auth B] mmCIF format, chain Y [auth B] mmCIF format, chain Z [auth B]	AA [auth B] BA [auth B] CA [auth B] DA [auth B] E AA [auth B], BA [auth B], CA [auth B], DA [auth B], E, F [auth H], G [auth Z], H [auth Z], I [auth Z], J [auth Z], K [auth Z], L [auth B], M [auth B], N [auth B], O [auth B], P [auth B], Q [auth B], R [auth B], S [auth B], T [auth B], U [auth B], V [auth B], W [auth B], X [auth B], Y [auth B], Z [auth B]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain AA [auth B] Focus chain BA [auth B] Focus chain CA [auth B] Focus chain DA [auth B] Focus chain E Focus chain F [auth H] Focus chain G [auth Z] Focus chain H [auth Z] Focus chain I [auth Z] Focus chain J [auth Z] Focus chain K [auth Z] Focus chain L [auth B] Focus chain M [auth B] Focus chain N [auth B] Focus chain O [auth B] Focus chain P [auth B] Focus chain Q [auth B] Focus chain R [auth B] Focus chain S [auth B] Focus chain T [auth B] Focus chain U [auth B] Focus chain V [auth B] Focus chain W [auth B] Focus chain X [auth B] Focus chain Y [auth B] Focus chain Z [auth B] Interactions & Density Focus chain AA [auth B] Focus chain BA [auth B] Focus chain CA [auth B] Focus chain DA [auth B] Focus chain E Focus chain F [auth H] Focus chain G [auth Z] Focus chain H [auth Z] Focus chain I [auth Z] Focus chain J [auth Z] Focus chain K [auth Z] Focus chain L [auth B] Focus chain M [auth B] Focus chain N [auth B] Focus chain O [auth B] Focus chain P [auth B] Focus chain Q [auth B] Focus chain R [auth B] Focus chain S [auth B] Focus chain T [auth B] Focus chain U [auth B] Focus chain V [auth B] Focus chain W [auth B] Focus chain X [auth B] Focus chain Y [auth B] Focus chain Z [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.68 Å
R-Value Free: 0.264 (Depositor), 0.264 (DCC)
R-Value Work: 0.217 (Depositor), 0.216 (DCC)
R-Value Observed: 0.218 (Depositor)

Space Group: C 1 2 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 172.056	α = 90
b = 138.742	β = 117.45
c = 95.611	γ = 90

Software Package:

Software Name	Purpose
PHENIX	refinement
HKL-2000	data reduction
SCALA	data scaling
PHENIX	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2017-11-01

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2017-11-01
Type: Initial release
Version 1.1: 2024-11-13
Changes: Data collection, Database references, Derived calculations, Structure summary