3HJC

Crystal structure of the carboxy-terminal domain of HSP90 from Leishmania major, LmjF33.0312

PDB DOI: https://doi.org/10.2210/pdb3HJC/pdb

Deposited: 2009-05-21 Released: 2009-06-02
Deposition Author(s): Wernimont, A.K., Tempel, W., Walker, J., Lin, Y.H., Hutchinson, A., Mackenzie, F., Fairlamb, A., Kozieradzki, I., Cossar, D., Zhao, Y., Schapira, M., Bochkarev, A., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Ferguson, M.A.J., Hui, R., Pizarro, J.C., Hills, T., Structural Genomics Consortium (SGC)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.50 Å
R-Value Free: 0.276
R-Value Work: 0.213
R-Value Observed: 0.216

wwPDB Validation 3D Report Full Report

This is version 1.4 of the entry. See complete history.

Literature

Crystal Structure of the middle and carboxy-terminal domain of HSP90 from Leishmania major, LMJF33.0312

Wernimont, A.K., Tempel, W., Lin, Y.H., Hutchinson, A., Mackenzie, F., Fairlamb, A., Kozieradzki, I., Cossar, D., Zhao, Y., Schapira, M., Bochkarev, A., Arrowsmith, C.H., Bountra, C., Weigelts, J., Edwards, A.M., Ferguson, M.A.J., Hui, R., Pizarro, J.C., Hills, T.

To be published.

Macromolecule Content

Total Structure Weight: 52.12 kDa
Atom Count: 3,192
Modelled Residue Count: 387
Deposited Residue Count: 444
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Heat shock protein 83-1	A	444	Leishmania major	Mutation(s): 0 Gene Names: LmjF33.0312, LmjF33.0314, LmjF33.0316, LmjF33.0320, LmjF33.0323, LmjF33.0326, LmjF33.0333, LmjF33.0336, LmjF33.0340, LmjF33.0343... LmjF33.0312, LmjF33.0314, LmjF33.0316, LmjF33.0320, LmjF33.0323, LmjF33.0326, LmjF33.0333, LmjF33.0336, LmjF33.0340, LmjF33.0343, LmjF33.0346, LmjF33.0350, LmjF33.0355, LmjF33.0360, LmjF33.0365
UniProt
Find proteins for Q4Q4I6 (Leishmania major) Explore Q4Q4I6 Go to UniProtKB: Q4Q4I6
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q4Q4I6
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain B [auth A] SDF format, chain C [auth A] MOL2 format, chain B [auth A] MOL2 format, chain C [auth A]	B [auth A], C [auth A]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain B [auth A] Focus chain C [auth A] Interactions & Density Focus chain B [auth A] Focus chain C [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.50 Å
R-Value Free: 0.276
R-Value Work: 0.213
R-Value Observed: 0.216
Space Group: P 6₃ 2 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 169.241	α = 90
b = 169.241	β = 90
c = 83.317	γ = 120

Software Package:

Software Name	Purpose
DENZO	data reduction
SCALEPACK	data scaling
PHASER	phasing
REFMAC	refinement
PDB_EXTRACT	data extraction
HKL-2000	data collection

Structure Validation

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Entry History

Deposition Data

Released Date: 2009-06-02

Deposition Author(s):

Structural Genomics Consortium (SGC)

Revision History (Full details and data files)

Version 1.0: 2009-06-02
Type: Initial release
Version 1.1: 2011-07-13
Changes: Advisory, Version format compliance
Version 1.2: 2017-11-01
Changes: Refinement description
Version 1.3: 2018-01-24
Changes: Database references, Structure summary
Version 1.4: 2023-09-06
Changes: Data collection, Database references, Derived calculations, Refinement description

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3HJC

Crystal structure of the carboxy-terminal domain of HSP90 from Leishmania major, LmjF33.0312

Crystal Structure of the middle and carboxy-terminal domain of HSP90 from Leishmania major, LMJF33.0312

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Deposition Data

Revision History (Full details and data files)