2W6C

Deposited: 2008-12-18 Released: 2009-04-07
Deposition Author(s): Paz, A., Xie, Q., Greenblatt, H.M., Fu, W., Tang, Y., Silman, I., Qiu, Z., Sussman, J.L.

Experimental Data Snapshot

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 2.1 of the entry. See complete history.

Macromolecule Content

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
ACETYLCHOLINESTERASE	A [auth X]	586	Tetronarce californica	Mutation(s): 0 EC: 3.1.1.7
UniProt
Find proteins for P04058 (Tetronarce californica) Explore P04058 Go to UniProtKB: P04058
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P04058
Sequence Annotations Expand
Reference Sequence

Oligosaccharides

Entity ID: 2
Molecule	Chains	Length	2D Diagram	Glycosylation	3D Interactions
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	B [auth A]	2		N-Glycosylation	Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]
Glycosylation Resources
GlyTouCan: G42666HT GlyCosmos: G42666HT GlyGen: G42666HT

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
BM4 Query on BM4 Download Ideal Coordinates CCD File SDF format, chain C [auth X] MOL2 format, chain C [auth X]	C [auth X]	3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol C₃₇ H₅₈ N₂ O₂ ZZKZUUMHRSWLQQ-JXLNJXQWSA-N		Interactions Focus chain C [auth X] Interactions & Density Focus chain C [auth X]
NAG Query on NAG Download Ideal Coordinates CCD File SDF format, chain D [auth X] SDF format, chain E [auth X] MOL2 format, chain D [auth X] MOL2 format, chain E [auth X]	D [auth X], E [auth X]	2-acetamido-2-deoxy-beta-D-glucopyranose C₈ H₁₅ N O₆ OVRNDRQMDRJTHS-FMDGEEDCSA-N		Interactions Focus chain D [auth X] Focus chain E [auth X] Interactions & Density Focus chain D [auth X] Focus chain E [auth X]

Binding Affinity Annotations
ID	Source	Binding Affinity
BM4	PDBBind: 2W6C	IC50: 3.9 (nM) from 1 assay(s)

Experimental Data & Validation

Unit Cell:

Software Package:

Entry History

Deposition Author(s):

Paz, A.

Version 1.0: 2009-04-07
Type: Initial release
Version 1.1: 2011-05-08
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2017-07-12
Changes: Advisory
Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Other, Structure summary
Version 2.1: 2023-12-13
Changes: Data collection, Database references, Refinement description, Structure summary