5MRR

Crystal structure of L1 protease of Lysobacter sp. XL1

PDB DOI: https://doi.org/10.2210/pdb5MRR/pdb

Classification: HYDROLASE
Organism(s): Lysobacter sp. XL1
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2016-12-26 Released: 2018-01-17
Deposition Author(s): Gabdulkhakov, A., Tishchenko, S., Lisov, A., Leontievsky, A.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.35 Å
R-Value Free: 0.190
R-Value Work: 0.157
R-Value Observed: 0.159

wwPDB Validation 3D Report Full Report

This is version 1.1 of the entry. See complete history.

Literature

Crystal structure of L1 protease of Lysobacter sp. XL1

Gabdulkhakov, A., Tishchenko, S., Lisov, A., Leontievsky, A.

To be published.

Macromolecule Content

Total Structure Weight: 81.15 kDa
Atom Count: 6,524
Modelled Residue Count: 796
Deposited Residue Count: 796
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Lytic endopeptidase preproenzyme	A, B, C, D	199	Lysobacter sp. XL1	Mutation(s): 0 Gene Names: alpA
UniProt
Find proteins for D2K8B3 (Lysobacter sp. (strain XL1)) Explore D2K8B3 Go to UniProtKB: D2K8B3
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	D2K8B3
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 5 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
TRS Query on TRS Download Ideal Coordinates CCD File SDF format, chain R [auth B] MOL2 format, chain R [auth B]	R [auth B]	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL C₄ H₁₂ N O₃ LENZDBCJOHFCAS-UHFFFAOYSA-O		Interactions Focus chain R [auth B] Interactions & Density Focus chain R [auth B]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain Z [auth D] SDF format, chain K [auth B] SDF format, chain L [auth B] SDF format, chain S [auth C] SDF format, chain T [auth C] MOL2 format, chain E [auth A] MOL2 format, chain Z [auth D] MOL2 format, chain K [auth B] MOL2 format, chain L [auth B] MOL2 format, chain S [auth C] MOL2 format, chain T [auth C]	E [auth A] K [auth B] L [auth B] S [auth C] T [auth C] E [auth A], K [auth B], L [auth B], S [auth C], T [auth C], Z [auth D]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain E [auth A] Focus chain K [auth B] Focus chain L [auth B] Focus chain S [auth C] Focus chain T [auth C] Focus chain Z [auth D] Interactions & Density Focus chain E [auth A] Focus chain K [auth B] Focus chain L [auth B] Focus chain S [auth C] Focus chain T [auth C] Focus chain Z [auth D]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain Y [auth C] SDF format, chain DA [auth D] SDF format, chain J [auth A] SDF format, chain P [auth B] SDF format, chain Q [auth B] SDF format, chain W [auth C] SDF format, chain X [auth C] MOL2 format, chain Y [auth C] MOL2 format, chain DA [auth D] MOL2 format, chain J [auth A] MOL2 format, chain P [auth B] MOL2 format, chain Q [auth B] MOL2 format, chain W [auth C] MOL2 format, chain X [auth C]	DA [auth D] J [auth A] P [auth B] Q [auth B] W [auth C] DA [auth D], J [auth A], P [auth B], Q [auth B], W [auth C], X [auth C], Y [auth C]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain DA [auth D] Focus chain J [auth A] Focus chain P [auth B] Focus chain Q [auth B] Focus chain W [auth C] Focus chain X [auth C] Focus chain Y [auth C] Interactions & Density Focus chain DA [auth D] Focus chain J [auth A] Focus chain P [auth B] Focus chain Q [auth B] Focus chain W [auth C] Focus chain X [auth C] Focus chain Y [auth C]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain F [auth A] SDF format, chain I [auth A] SDF format, chain AA [auth D] SDF format, chain BA [auth D] SDF format, chain G [auth A] SDF format, chain H [auth A] SDF format, chain M [auth B] SDF format, chain N [auth B] SDF format, chain O [auth B] SDF format, chain U [auth C] SDF format, chain V [auth C] MOL2 format, chain F [auth A] MOL2 format, chain I [auth A] MOL2 format, chain AA [auth D] MOL2 format, chain BA [auth D] MOL2 format, chain G [auth A] MOL2 format, chain H [auth A] MOL2 format, chain M [auth B] MOL2 format, chain N [auth B] MOL2 format, chain O [auth B] MOL2 format, chain U [auth C] MOL2 format, chain V [auth C]	AA [auth D] BA [auth D] F [auth A] G [auth A] H [auth A] AA [auth D], BA [auth D], F [auth A], G [auth A], H [auth A], I [auth A], M [auth B], N [auth B], O [auth B], U [auth C], V [auth C]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain AA [auth D] Focus chain BA [auth D] Focus chain F [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain I [auth A] Focus chain M [auth B] Focus chain N [auth B] Focus chain O [auth B] Focus chain U [auth C] Focus chain V [auth C] Interactions & Density Focus chain AA [auth D] Focus chain BA [auth D] Focus chain F [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain I [auth A] Focus chain M [auth B] Focus chain N [auth B] Focus chain O [auth B] Focus chain U [auth C] Focus chain V [auth C]
NA Query on NA Download Ideal Coordinates CCD File SDF format, chain CA [auth D] MOL2 format, chain CA [auth D]	CA [auth D]	SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N		Interactions Focus chain CA [auth D] Interactions & Density Focus chain CA [auth D]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.35 Å
R-Value Free: 0.190
R-Value Work: 0.157
R-Value Observed: 0.159
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 63.71	α = 90
b = 96.48	β = 90
c = 118.18	γ = 90

Software Package:

Software Name	Purpose
PHENIX	refinement
XDS	data reduction
XSCALE	data scaling
PHASER	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2018-01-17

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2018-01-17
Type: Initial release
Version 1.1: 2024-01-17
Changes: Data collection, Database references, Derived calculations, Refinement description