6KF5

Microbial Hormone-sensitive lipase E53 mutant I256L

PDB DOI: https://doi.org/10.2210/pdb6KF5/pdb

Classification: HYDROLASE
Organism(s): Erythrobacter longus
Expression System: Escherichia coli 'BL21-Gold(DE3)pLysS AG
Mutation(s): Yes

Deposited: 2019-07-06 Released: 2020-07-08
Deposition Author(s): Yang, X., Li, Z.Y., Li, J., Xu, X.W.
Funding Organization(s): National Science Foundation (China)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.09 Å
R-Value Free: 0.214
R-Value Work: 0.183
R-Value Observed: 0.184

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Microbial Hormone-sensitive lipase E53 mutant I256L

Yang, X., Yingyi, H., Li, Z.Y., Shuling, J., Zhen, R., Zhao, W., Xiaojian, H., Henglin, C., Li, J., Xu, X.W.

To be published.

Macromolecule Content

Total Structure Weight: 134.66 kDa
Atom Count: 10,291
Modelled Residue Count: 1,235
Deposited Residue Count: 1,256
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Lipase	A, B, C, D	314	Erythrobacter longus	Mutation(s): 1 Gene Names: EH31_02760
UniProt
Find proteins for A0A074MDU6 (Erythrobacter longus) Explore A0A074MDU6 Go to UniProtKB: A0A074MDU6
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A074MDU6
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 5 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
D8F (Subject of Investigation/LOI) Query on D8F Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain L [auth B] SDF format, chain O [auth C] SDF format, chain Q [auth D] MOL2 format, chain E [auth A] MOL2 format, chain L [auth B] MOL2 format, chain O [auth C] MOL2 format, chain Q [auth D] mmCIF format, chain E [auth A] mmCIF format, chain L [auth B] mmCIF format, chain O [auth C] mmCIF format, chain Q [auth D]	E [auth A], L [auth B], O [auth C], Q [auth D]	(4-nitrophenyl) hexanoate C₁₂ H₁₅ N O₄ OLRXUEYZKCCEKK-UHFFFAOYSA-N		Interactions Focus chain E [auth A] Focus chain L [auth B] Focus chain O [auth C] Focus chain Q [auth D] Interactions & Density Focus chain E [auth A] Focus chain L [auth B] Focus chain O [auth C] Focus chain Q [auth D]
6NA Query on 6NA Download Ideal Coordinates CCD File SDF format, chain F [auth A] MOL2 format, chain F [auth A] mmCIF format, chain F [auth A]	F [auth A]	HEXANOIC ACID C₆ H₁₂ O₂ FUZZWVXGSFPDMH-UHFFFAOYSA-N		Interactions Focus chain F [auth A] Interactions & Density Focus chain F [auth A]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain J [auth A] SDF format, chain M [auth B] SDF format, chain N [auth B] SDF format, chain S [auth D] SDF format, chain U [auth D] SDF format, chain I [auth A] SDF format, chain R [auth D] SDF format, chain T [auth D] MOL2 format, chain J [auth A] MOL2 format, chain M [auth B] MOL2 format, chain N [auth B] MOL2 format, chain S [auth D] MOL2 format, chain U [auth D] MOL2 format, chain I [auth A] MOL2 format, chain R [auth D] MOL2 format, chain T [auth D] mmCIF format, chain J [auth A] mmCIF format, chain M [auth B] mmCIF format, chain N [auth B] mmCIF format, chain S [auth D] mmCIF format, chain U [auth D] mmCIF format, chain I [auth A] mmCIF format, chain R [auth D] mmCIF format, chain T [auth D]	I [auth A] J [auth A] M [auth B] N [auth B] R [auth D] I [auth A], J [auth A], M [auth B], N [auth B], R [auth D], S [auth D], T [auth D], U [auth D]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain I [auth A] Focus chain J [auth A] Focus chain M [auth B] Focus chain N [auth B] Focus chain R [auth D] Focus chain S [auth D] Focus chain T [auth D] Focus chain U [auth D] Interactions & Density Focus chain I [auth A] Focus chain J [auth A] Focus chain M [auth B] Focus chain N [auth B] Focus chain R [auth D] Focus chain S [auth D] Focus chain T [auth D] Focus chain U [auth D]
EDO Query on EDO Download Ideal Coordinates CCD File SDF format, chain G [auth A] SDF format, chain P [auth C] SDF format, chain H [auth A] MOL2 format, chain G [auth A] MOL2 format, chain P [auth C] MOL2 format, chain H [auth A] mmCIF format, chain G [auth A] mmCIF format, chain P [auth C] mmCIF format, chain H [auth A]	G [auth A], H [auth A], P [auth C]	1,2-ETHANEDIOL C₂ H₆ O₂ LYCAIKOWRPUZTN-UHFFFAOYSA-N		Interactions Focus chain G [auth A] Focus chain H [auth A] Focus chain P [auth C] Interactions & Density Focus chain G [auth A] Focus chain H [auth A] Focus chain P [auth C]
2FK Query on 2FK Download Ideal Coordinates CCD File SDF format, chain K [auth A] MOL2 format, chain K [auth A] mmCIF format, chain K [auth A]	K [auth A]	SUPEROXO ION O₂ MXDZWXWHPVATGF-UHFFFAOYSA-N		Interactions Focus chain K [auth A] Interactions & Density Focus chain K [auth A]