4QRI

2.35 Angstrom resolution crystal structure of hypoxanthine-guanine-xanthine phosphoribosyltransferase from Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130

PDB DOI: https://doi.org/10.2210/pdb4QRI/pdb

Classification: TRANSFERASE
Organism(s): Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2014-07-01 Released: 2014-07-16
Deposition Author(s): Halavaty, A.S., Minasov, G., Dubrovska, I., Flores, K.J., Shuvalova, L., Anderson, W.F., Center for Structural Genomics of Infectious Diseases (CSGID)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.35 Å
R-Value Free: 0.232
R-Value Work: 0.188
R-Value Observed: 0.190

wwPDB Validation 3D Report Full Report

This is version 1.2 of the entry. See complete history.

Literature

2.35 Angstrom resolution crystal structure of hypoxanthine-guanine-xanthine phosphoribosyltransferase from Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130

Halavaty, A.S., Minasov, G., Dubrovska, I., Flores, K.J., Shuvalova, L., Anderson, W.F., Center for Structural Genomics of Infectious Diseases (CSGID)

To be published.

Macromolecule Content

Total Structure Weight: 48.98 kDa
Atom Count: 2,815
Modelled Residue Count: 312
Deposited Residue Count: 414
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Hypoxanthine-guanine-xanthine phosphoribosyltransferase	A, B	207	Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130	Mutation(s): 0 Gene Names: hpt, LA_4295, LIC_13438 EC: 2.4.2.8
UniProt
Find proteins for Q72LV5 (Leptospira interrogans serogroup Icterohaemorrhagiae serovar copenhageni (strain Fiocruz L1-130)) Explore Q72LV5 Go to UniProtKB: Q72LV5
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q72LV5
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
PEG Query on PEG Download Ideal Coordinates CCD File SDF format, chain G [auth A] SDF format, chain L [auth B] SDF format, chain M [auth B] MOL2 format, chain G [auth A] MOL2 format, chain L [auth B] MOL2 format, chain M [auth B]	G [auth A], L [auth B], M [auth B]	DI(HYDROXYETHYL)ETHER C₄ H₁₀ O₃ MTHSVFCYNBDYFN-UHFFFAOYSA-N		Interactions Focus chain G [auth A] Focus chain L [auth B] Focus chain M [auth B] Interactions & Density Focus chain G [auth A] Focus chain L [auth B] Focus chain M [auth B]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth A] SDF format, chain E [auth A] SDF format, chain F [auth A] SDF format, chain H [auth B] SDF format, chain I [auth B] SDF format, chain J [auth B] SDF format, chain K [auth B] MOL2 format, chain C [auth A] MOL2 format, chain D [auth A] MOL2 format, chain E [auth A] MOL2 format, chain F [auth A] MOL2 format, chain H [auth B] MOL2 format, chain I [auth B] MOL2 format, chain J [auth B] MOL2 format, chain K [auth B]	C [auth A] D [auth A] E [auth A] F [auth A] H [auth B] C [auth A], D [auth A], E [auth A], F [auth A], H [auth B], I [auth B], J [auth B], K [auth B]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain C [auth A] Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth A] Focus chain H [auth B] Focus chain I [auth B] Focus chain J [auth B] Focus chain K [auth B] Interactions & Density Focus chain C [auth A] Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth A] Focus chain H [auth B] Focus chain I [auth B] Focus chain J [auth B] Focus chain K [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.35 Å
R-Value Free: 0.232
R-Value Work: 0.188
R-Value Observed: 0.190
Space Group: P 4₁ 2₁ 2
Diffraction Data: https://doi.org/10.18430/M34QRI

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 74.647	α = 90
b = 74.647	β = 90
c = 162.333	γ = 90

Software Package:

Software Name	Purpose
Blu-Ice	data collection
PHASER	phasing
REFMAC	refinement
HKL-2000	data reduction
HKL-2000	data scaling

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2014-07-16

Deposition Author(s):

Center for Structural Genomics of Infectious Diseases (CSGID)

Revision History (Full details and data files)

Version 1.0: 2014-07-16
Type: Initial release
Version 1.1: 2017-11-22
Changes: Refinement description
Version 1.2: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description

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Help and Resources

4QRI

2.35 Angstrom resolution crystal structure of hypoxanthine-guanine-xanthine phosphoribosyltransferase from Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130

2.35 Angstrom resolution crystal structure of hypoxanthine-guanine-xanthine phosphoribosyltransferase from Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130

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)