2B4X

Deposited: 2005-09-27 Released: 2006-10-10
Deposition Author(s): Adams, T.E., Huntington, J.A., Johnson, D.J.D., Bock, S.C.

Experimental Data Snapshot

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 2.3 of the entry. See complete history.

Literature

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Antithrombin-III	A [auth I]	427	Homo sapiens	Mutation(s): 2 Gene Names: SERPINC1, AT3
UniProt & NIH Common Fund Data Resources
Find proteins for P01008 (Homo sapiens) Explore P01008 Go to UniProtKB: P01008
PHAROS: P01008 GTEx: ENSG00000117601
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P01008
Glycosylation
Glycosylation Sites: 2	Glycosylation Focus chain A [auth I]	Go to GlyGen: P01008-1
Sequence Annotations Expand
Reference Sequence

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(by identity cutoff) | 3D Structure

Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Antithrombin-III	B [auth L]	427	Homo sapiens	Mutation(s): 0
UniProt & NIH Common Fund Data Resources
Find proteins for P01008 (Homo sapiens) Explore P01008 Go to UniProtKB: P01008
PHAROS: P01008 GTEx: ENSG00000117601
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P01008
Glycosylation
Glycosylation Sites: 2	Glycosylation Focus chain B [auth L]	Go to GlyGen: P01008-1
Sequence Annotations Expand
Reference Sequence

Oligosaccharides

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

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAG Query on NAG Download Ideal Coordinates CCD File SDF format, chain E [auth I] SDF format, chain F [auth I] SDF format, chain G [auth I] SDF format, chain H [auth L] SDF format, chain I [auth L] SDF format, chain J [auth L] MOL2 format, chain E [auth I] MOL2 format, chain F [auth I] MOL2 format, chain G [auth I] MOL2 format, chain H [auth L] MOL2 format, chain I [auth L] MOL2 format, chain J [auth L] mmCIF format, chain E [auth I] mmCIF format, chain F [auth I] mmCIF format, chain G [auth I] mmCIF format, chain H [auth L] mmCIF format, chain I [auth L] mmCIF format, chain J [auth L]	E [auth I] F [auth I] G [auth I] H [auth L] I [auth L] E [auth I], F [auth I], G [auth I], H [auth L], I [auth L], J [auth L]	2-acetamido-2-deoxy-beta-D-glucopyranose C₈ H₁₅ N O₆ OVRNDRQMDRJTHS-FMDGEEDCSA-N		Interactions Focus chain E [auth I] Focus chain F [auth I] Focus chain G [auth I] Focus chain H [auth L] Focus chain I [auth L] Focus chain J [auth L] Interactions & Density Focus chain E [auth I] Focus chain F [auth I] Focus chain G [auth I] Focus chain H [auth L] Focus chain I [auth L] Focus chain J [auth L]

Experimental Data & Validation

Unit Cell:

Software Package:

Entry History

Deposition Author(s):

Adams, T.E.

Version 1.0: 2006-10-10
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 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Structure summary
Version 2.1: 2021-10-20
Changes: Database references, Structure summary
Version 2.2: 2023-08-23
Changes: Data collection, Refinement description
Version 2.3: 2024-11-06
Changes: Structure summary