7O00: HLA-DR4

Crystal structure of HLA-DR4 in complex with a HSP70 peptide. Determined by X-ray diffraction at 2.24 Å resolution. Released 11 May 2022.

Method
X-ray diffraction
Resolution
2.24 Å
Organisms
Homo sapiens, Mycobacterium tuberculosis
Chains
3
Atoms
3,179
Mol. weight
44.98 kDa
Ligands
NAG
Released
11 May 2022

Explore 7O00 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7O00 contains 15 α-helices and 32 β-strands across 3 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain AAA: 5 helices, 16 β-strands

ElementResiduesLengthSheet
β-strand5-15111
β-strand19-2681
β-strand29-3571
β-strand40-4341
α-helix46-505
β-strand52-5322
α-helix56-583
α-helix59-7618
α-helix81-844
β-strand8513
α-helix86-872
β-strand88-9364
β-strand103-112104
β-strand11313
β-strand118-12365
β-strand126-12835
β-strand133-13424
β-strand138-13924
β-strand145-15394
β-strand160-16675
β-strand174-17965
Chain BBB: 8 helices, 15 β-strands
ElementResiduesLengthSheet
β-strand7-18121
β-strand23-32101
β-strand35-4171
β-strand46-4941
α-helix52-543
α-helix55-628
α-helix65-728
α-helix741
α-helix75-806
α-helix81-866
α-helix87-893
β-strand9516
α-helix96-972
β-strand98-10477
β-strand114-12297
β-strand12316
β-strand128-13368
β-strand136-13838
β-strand142-14437
β-strand148-14927
β-strand155-16287
β-strand170-17678
β-strand184-18968
Chain CCC: 2 helices, 1 β-strand
ElementResiduesLengthSheet
β-strand2-322
α-helix4-63
α-helix9-113

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
HLA class II histocompatibility antigen, DR alpha chainAAAprotein177Homo sapiensP01903 (AlphaFold model)
HLA class II histocompatibility antigen DR beta chainBBBprotein189Homo sapiensA0A1V1IGJ9 (AlphaFold model)
Chaperone protein DnaKCCCprotein14Mycobacterium tuberculosisP9WMJ9 (AlphaFold model)
Sequence of entity 1 (AAA), FASTA
>7O00_1 HLA class II histocompatibility antigen, DR alpha chain (chains AAA)
EHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANI
AVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLR
NGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEF
Sequence of entity 2 (BBB), FASTA
>7O00_2 HLA class II histocompatibility antigen DR beta chain (chains BBB)
DTRPRFLEQVKHECHFFNGTERVRFLDRYFYHQEEYVRFDSDVGEYRAVTELGRPDAEYW
NSQKDLLEQKRAAVDTYCRHNYGVGESFTVQRRVYPEVTVYPAKTQPLQHHNLLVCSVNG
FYPGSIEVRWFRNGQEEKTGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSLT
SPLTVEWRA
Sequence of entity 3 (CCC), FASTA
>7O00_3 Chaperone protein DnaK (chains CCC)
RKPFQSVIADTGIS

Ligands and cofactors

IDNameFormulaCopies
NAG2-acetamido-2-deoxy-beta-D-glucopyranoseC8 H15 N O61

Primary citation

Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor. Ge, C., Weisse, S., Xu, B. et al. Ann Rheum Dis (2022) 81:480-489. DOI 10.1136/annrheumdis-2021-220500 · PubMed

Other PDB entries of the same protein (UniProt P01903 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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