2GJX

Deposited: 2006-03-31 Released: 2006-06-20
Deposition Author(s): Lemieux, M.J., Mark, B.L., Cherney, M.M., Withers, S.G., Mahuran, D.J., James, M.N.G.

Experimental Data Snapshot

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 2.0 of the entry. See complete history.

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Beta-hexosaminidase alpha chain	A, D, E, H	507	Homo sapiens	Mutation(s): 0 EC: 3.2.1.52
UniProt & NIH Common Fund Data Resources
Find proteins for P06865 (Homo sapiens) Explore P06865 Go to UniProtKB: P06865
PHAROS: P06865 GTEx: ENSG00000213614
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P06865
Sequence Annotations Expand
Reference Sequence

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(by identity cutoff) | 3D Structure

Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Beta-hexosaminidase beta chain	B, C, F, G	507	Homo sapiens	Mutation(s): 0 EC: 3.2.1.52
UniProt & NIH Common Fund Data Resources
Find proteins for P07686 (Homo sapiens) Explore P07686 Go to UniProtKB: P07686
PHAROS: P07686 GTEx: ENSG00000049860
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P07686
Sequence Annotations Expand
Reference Sequence

Oligosaccharides

Entity ID: 3
Molecule	Chains	Length	2D Diagram	Glycosylation	3D Interactions
beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	I, J, K, M	3		N-Glycosylation	Interactions Focus chain I Focus chain J Focus chain K Focus chain M Interactions & Density Focus chain I Focus chain J Focus chain K Focus chain M
Glycosylation Resources
GlyTouCan: G15407YE GlyCosmos: G15407YE GlyGen: G15407YE

Entity ID: 4
Molecule	Chains	Length	2D Diagram	Glycosylation	3D Interactions
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	L, N, O, P, Q L, N, O, P, Q, R, S	2		N-Glycosylation	Interactions Focus chain L Focus chain N Focus chain O Focus chain P Focus chain Q Focus chain R Focus chain S Interactions & Density Focus chain L Focus chain N Focus chain O Focus chain P Focus chain Q Focus chain R Focus chain S
Glycosylation Resources
GlyTouCan: G42666HT GlyCosmos: G42666HT GlyGen: G42666HT

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAG Query on NAG Download Ideal Coordinates CCD File SDF format, chain Y [auth G] SDF format, chain T [auth A] SDF format, chain V [auth D] SDF format, chain X [auth E] MOL2 format, chain Y [auth G] MOL2 format, chain T [auth A] MOL2 format, chain V [auth D] MOL2 format, chain X [auth E]	T [auth A], V [auth D], X [auth E], Y [auth G]	2-acetamido-2-deoxy-beta-D-glucopyranose C₈ H₁₅ N O₆ OVRNDRQMDRJTHS-FMDGEEDCSA-N		Interactions Focus chain T [auth A] Focus chain V [auth D] Focus chain X [auth E] Focus chain Y [auth G] Interactions & Density Focus chain T [auth A] Focus chain V [auth D] Focus chain X [auth E] Focus chain Y [auth G]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain U [auth A] SDF format, chain AA [auth H] SDF format, chain W [auth D] SDF format, chain Z [auth H] MOL2 format, chain U [auth A] MOL2 format, chain AA [auth H] MOL2 format, chain W [auth D] MOL2 format, chain Z [auth H]	AA [auth H], U [auth A], W [auth D], Z [auth H]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain AA [auth H] Focus chain U [auth A] Focus chain W [auth D] Focus chain Z [auth H] Interactions & Density Focus chain AA [auth H] Focus chain U [auth A] Focus chain W [auth D] Focus chain Z [auth H]

Experimental Data & Validation

Unit Cell:

Software Package:

Entry History

Deposition Author(s):

Lemieux, M.J.

Version 1.0: 2006-06-20
Type: Initial release
Version 1.1: 2008-05-01
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance
Version 1.3: 2017-10-18
Changes: Refinement description
Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Non-polymer description, Structure summary