3S2W

The crystal structure of a MarR transcriptional regulator from Methanosarcina mazei Go1

PDB DOI: https://doi.org/10.2210/pdb3S2W/pdb

Classification: TRANSCRIPTION REGULATOR
Organism(s): Methanosarcina mazei Go1
Expression System: Escherichia coli BL21
Mutation(s): No

Deposited: 2011-05-17 Released: 2011-06-22
Deposition Author(s): Tan, K., Li, H., Gu, M., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.45 Å
R-Value Free: 0.246
R-Value Work: 0.179
R-Value Observed: 0.183

wwPDB Validation 3D Report Full Report

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

Literature

The crystal structure of a MarR transcriptional regulator from Methanosarcina mazei Go1

Tan, K., Li, H., Gu, M., Joachimiak, A.

To be published.

Macromolecule Content

Total Structure Weight: 151.74 kDa
Atom Count: 9,311
Modelled Residue Count: 1,109
Deposited Residue Count: 1,272
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Transcriptional regulator, MarR family	A, B, C, D, E A, B, C, D, E, F, G, H	159	Methanosarcina mazei Go1	Mutation(s): 0 Gene Names: MM_1863
UniProt
Find proteins for Q8PVU7 (Methanosarcina mazei (strain ATCC BAA-159 / DSM 3647 / Goe1 / Go1 / JCM 11833 / OCM 88)) Explore Q8PVU7 Go to UniProtKB: Q8PVU7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q8PVU7
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain I [auth A] SDF format, chain J [auth A] SDF format, chain K [auth A] SDF format, chain L [auth B] SDF format, chain M [auth C] SDF format, chain N [auth C] SDF format, chain O [auth D] SDF format, chain P [auth D] SDF format, chain Q [auth E] SDF format, chain R [auth F] SDF format, chain S [auth F] SDF format, chain T [auth G] SDF format, chain U [auth G] SDF format, chain V [auth G] MOL2 format, chain I [auth A] MOL2 format, chain J [auth A] MOL2 format, chain K [auth A] MOL2 format, chain L [auth B] MOL2 format, chain M [auth C] MOL2 format, chain N [auth C] MOL2 format, chain O [auth D] MOL2 format, chain P [auth D] MOL2 format, chain Q [auth E] MOL2 format, chain R [auth F] MOL2 format, chain S [auth F] MOL2 format, chain T [auth G] MOL2 format, chain U [auth G] MOL2 format, chain V [auth G]	I [auth A] J [auth A] K [auth A] L [auth B] M [auth C] I [auth A], J [auth A], K [auth A], L [auth B], M [auth C], N [auth C], O [auth D], P [auth D], Q [auth E], R [auth F], S [auth F], T [auth G], U [auth G], V [auth G]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth B] Focus chain M [auth C] Focus chain N [auth C] Focus chain O [auth D] Focus chain P [auth D] Focus chain Q [auth E] Focus chain R [auth F] Focus chain S [auth F] Focus chain T [auth G] Focus chain U [auth G] Focus chain V [auth G] Interactions & Density Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth B] Focus chain M [auth C] Focus chain N [auth C] Focus chain O [auth D] Focus chain P [auth D] Focus chain Q [auth E] Focus chain R [auth F] Focus chain S [auth F] Focus chain T [auth G] Focus chain U [auth G] Focus chain V [auth G]

Modified Residues 1 Unique
ID	Chains	Type	Formula	2D Diagram	Parent
MSE Query on MSE	A, B, C, D, E A, B, C, D, E, F, G, H	L-PEPTIDE LINKING	C₅ H₁₁ N O₂ Se		MET

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.45 Å
R-Value Free: 0.246
R-Value Work: 0.179
R-Value Observed: 0.183
Space Group: P 1 2₁ 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 42.943	α = 90
b = 300.077	β = 111.13
c = 55.711	γ = 90

Software Package:

Software Name	Purpose
SBC-Collect	data collection
SHELXD	phasing
MLPHARE	phasing
DM	model building
RESOLVE	model building
HKL-3000	phasing
PHENIX	refinement
HKL-3000	data reduction
HKL-3000	data scaling
DM	phasing
RESOLVE	phasing