3REO

Monolignol O-methyltransferase (MOMT)

PDB DOI: https://doi.org/10.2210/pdb3REO/pdb

Classification: TRANSFERASE
Organism(s): Clarkia breweri
Expression System: Escherichia coli BL21(DE3)
Mutation(s): Yes

Deposited: 2011-04-04 Released: 2012-03-14
Deposition Author(s): Bhuiya, M.W., Liu, C.J.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.90 Å
R-Value Free: 0.232
R-Value Work: 0.188
R-Value Observed: 0.190

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.2 of the entry. See complete history.

Literature

Monolignol O-methyltransferase (MOMT)

Bhuiya, M.W., Liu, C.J.

To be published.

Macromolecule Content

Total Structure Weight: 162.01 kDa
Atom Count: 11,187
Modelled Residue Count: 1,417
Deposited Residue Count: 1,472
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
(Iso)eugenol O-methyltransferase	A, B, C, D	368	Clarkia breweri	Mutation(s): 3 Gene Names: IEMT1 EC: 2.1.1.146
UniProt
Find proteins for O04385 (Clarkia breweri) Explore O04385 Go to UniProtKB: O04385
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O04385
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SAH Query on SAH Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain G [auth B] SDF format, chain I [auth C] SDF format, chain K [auth D] MOL2 format, chain E [auth A] MOL2 format, chain G [auth B] MOL2 format, chain I [auth C] MOL2 format, chain K [auth D]	E [auth A], G [auth B], I [auth C], K [auth D]	S-ADENOSYL-L-HOMOCYSTEINE C₁₄ H₂₀ N₆ O₅ S ZJUKTBDSGOFHSH-WFMPWKQPSA-N		Interactions Focus chain E [auth A] Focus chain G [auth B] Focus chain I [auth C] Focus chain K [auth D] Interactions & Density Focus chain E [auth A] Focus chain G [auth B] Focus chain I [auth C] Focus chain K [auth D]
EUG Query on EUG Download Ideal Coordinates CCD File SDF format, chain F [auth B] SDF format, chain H [auth C] SDF format, chain J [auth D] MOL2 format, chain F [auth B] MOL2 format, chain H [auth C] MOL2 format, chain J [auth D]	F [auth B], H [auth C], J [auth D]	2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol C₁₀ H₁₂ O₂ BJIOGJUNALELMI-ONEGZZNKSA-N		Interactions Focus chain F [auth B] Focus chain H [auth C] Focus chain J [auth D] Interactions & Density Focus chain F [auth B] Focus chain H [auth C] Focus chain J [auth D]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.90 Å
R-Value Free: 0.232
R-Value Work: 0.188
R-Value Observed: 0.190
Space Group: P 1 2₁ 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 66.241	α = 90
b = 150.754	β = 92.67
c = 68.302	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
MOLREP	phasing
CNS	refinement
HKL-2000	data collection
PROCESS	data reduction
HKL-3000	data scaling

Structure Validation

View Full Validation Report

Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2012-03-14

Deposition Author(s):

Bhuiya, M.W.

Liu, C.J.

Revision History (Full details and data files)

Version 1.0: 2012-03-14
Type: Initial release
Version 1.1: 2019-07-17
Changes: Data collection, Refinement description
Version 1.2: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description

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Help and Resources

3REO

Monolignol O-methyltransferase (MOMT)

Monolignol O-methyltransferase (MOMT)

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)