2WR8

Deposited: 2009-08-31 Released: 2009-09-22
Deposition Author(s): McMahon, S.A., Deng, H., O'Hagan, D., Johnson, K.A., Naismith, J.H.

Experimental Data Snapshot

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

(2009) Chembiochem 10: 2455

Organizational Affiliation

Centre for Biomolecular Sciences, School of Chemistry, University of St. Andrews, St. Andrews, KY16 9ST, UK.

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
PUTATIVE UNCHARACTERIZED PROTEIN PH0463	A	259	Pyrococcus horikoshii OT3	Mutation(s): 0
UniProt
Find proteins for O58212 (Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)) Explore O58212 Go to UniProtKB: O58212
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O58212
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SAH Query on SAH Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A]	B [auth A]	S-ADENOSYL-L-HOMOCYSTEINE C₁₄ H₂₀ N₆ O₅ S ZJUKTBDSGOFHSH-WFMPWKQPSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]

Binding Affinity Annotations
ID	Source	Binding Affinity
SAH	Binding MOAD: 2WR8	Ki: 3600 (nM) from 1 assay(s)
SAH	PDBBind: 2WR8	Ki: 3600 (nM) from 1 assay(s)

Experimental Data & Validation

Unit Cell:

Software Package:

Entry History

Deposition Author(s):

McMahon, S.A.

Version 1.0: 2009-09-22
Type: Initial release
Version 1.1: 2011-07-13
Changes: Advisory, Version format compliance
Version 1.2: 2023-12-20
Changes: Data collection, Database references, Derived calculations, Other, Refinement description