1I36 | pdb_00001i36

Structure of Conserved Protein MTH1747 of Unknown Function Reveals Structural Similarity with 3-Hydroxyacid Dehydrogenases

PDB DOI: https://doi.org/10.2210/pdb1I36/pdb

Classification: STRUCTURAL GENOMICS, UNKNOWN FUNCTION
Organism(s): Methanothermobacter thermautotrophicus
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2001-02-13 Released: 2002-05-15
Deposition Author(s): Korolev, S.V., Dementieva, I.S., Christendat, D., Edwards, A., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.00 Å
R-Value Free:
0.230 (Depositor)
R-Value Work:
0.203 (Depositor), 0.200 (DCC)
R-Value Observed:
0.203 (Depositor)

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.5 of the entry. See complete history.

Literature

STRUCTURAL SIMILARITIES OF MTH1747 HYPOTHETICAL PROTEIN FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH 3-HYDROXYACID DEHYDROGENASES

Korolev, S.V., Dementieva, I.S., Christendat, D., Edwards, A., Joachimiak, A.

To be published.

Macromolecule Content

Total Structure Weight: 59.53 kDa
Atom Count: 4,443
Modeled Residue Count: 516
Deposited Residue Count: 528
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
CONSERVED HYPOTHETICAL PROTEIN MTH1747	A, B	264	Methanothermobacter thermautotrophicus	Mutation(s): 1 Gene Names: MTH1747
UniProt
Find proteins for O27779 (Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)) Explore O27779 Go to UniProtKB: O27779
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O27779
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAP Query on NAP Download Ideal Coordinates CCD File SDF format, chain D [auth B] SDF format, chain C [auth A] MOL2 format, chain D [auth B] MOL2 format, chain C [auth A] mmCIF format, chain D [auth B] mmCIF format, chain C [auth A]	C [auth A], D [auth B]	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C₂₁ H₂₈ N₇ O₁₇ P₃ XJLXINKUBYWONI-NNYOXOHSSA-N		Interactions Focus chain C [auth A] Focus chain D [auth B] Interactions & Density Focus chain C [auth A] Focus chain D [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.00 Å
R-Value Free: 0.230 (Depositor)
R-Value Work: 0.203 (Depositor), 0.200 (DCC)
R-Value Observed: 0.203 (Depositor)

Space Group: I 2 2 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 94.87	α = 90
b = 123.457	β = 90
c = 133.894	γ = 90

Software Package:

Software Name	Purpose
d*TREK	data scaling
HKL-2000	data reduction
SOLVE	phasing
SHARP	phasing
O	model building
CNS	refinement
d*TREK	data reduction
HKL-2000	data scaling

Structure Validation

View Full Validation Report

Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2002-05-15

Deposition Author(s):

Dementieva, I.S.

Christendat, D.

Midwest Center for Structural Genomics (MCSG)

Revision History (Full details and data files)

Version 1.0: 2002-05-15
Type: Initial release
Version 1.1: 2008-04-27
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2017-10-04
Changes: Refinement description
Version 1.4: 2021-10-27
Changes: Database references, Derived calculations
Version 1.5: 2024-11-20
Changes: Data collection, Structure summary

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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 R01GM157729.