5Y7P

Bile salt hydrolase from lactobacillus salivarius complex with glycocholic acid and cholic acid

PDB DOI: https://doi.org/10.2210/pdb5Y7P/pdb

Classification: HYDROLASE
Organism(s): Ligilactobacillus salivarius
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2017-08-17 Released: 2018-08-22
Deposition Author(s): Hu, X.-J.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.10 Å
R-Value Free: 0.213
R-Value Work: 0.160
R-Value Observed: 0.163

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

Crystal structure of the bile salt hydrolase from lactobacillus salivarius complex with glycocholic acid and cholic acid

Xu, F., Hu, X.-J., Lin, J.

To be published.

Macromolecule Content

Total Structure Weight: 307.84 kDa
Atom Count: 21,964
Modelled Residue Count: 2,583
Deposited Residue Count: 2,664
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Bile salt hydrolase	A, B, C, D, E A, B, C, D, E, F, G, H	333	Ligilactobacillus salivarius	Mutation(s): 0 EC: 3.5.1.24
UniProt
Find proteins for J7H3P9 (Ligilactobacillus salivarius) Explore J7H3P9 Go to UniProtKB: J7H3P9
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	J7H3P9
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 6 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
GCH Query on GCH Download Ideal Coordinates CCD File SDF format, chain I [auth A] SDF format, chain J [auth A] SDF format, chain S [auth F] MOL2 format, chain I [auth A] MOL2 format, chain J [auth A] MOL2 format, chain S [auth F] mmCIF format, chain I [auth A] mmCIF format, chain J [auth A] mmCIF format, chain S [auth F]	I [auth A], J [auth A], S [auth F]	GLYCOCHOLIC ACID C₂₆ H₄₃ N O₆ RFDAIACWWDREDC-FRVQLJSFSA-N		Interactions Focus chain I [auth A] Focus chain J [auth A] Focus chain S [auth F] Interactions & Density Focus chain I [auth A] Focus chain J [auth A] Focus chain S [auth F]
CHD Query on CHD Download Ideal Coordinates CCD File SDF format, chain K [auth B] SDF format, chain N [auth C] SDF format, chain O [auth D] SDF format, chain Q [auth E] SDF format, chain U [auth G] SDF format, chain W [auth H] MOL2 format, chain K [auth B] MOL2 format, chain N [auth C] MOL2 format, chain O [auth D] MOL2 format, chain Q [auth E] MOL2 format, chain U [auth G] MOL2 format, chain W [auth H] mmCIF format, chain K [auth B] mmCIF format, chain N [auth C] mmCIF format, chain O [auth D] mmCIF format, chain Q [auth E] mmCIF format, chain U [auth G] mmCIF format, chain W [auth H]	K [auth B] N [auth C] O [auth D] Q [auth E] U [auth G] K [auth B], N [auth C], O [auth D], Q [auth E], U [auth G], W [auth H]	CHOLIC ACID C₂₄ H₄₀ O₅ BHQCQFFYRZLCQQ-OELDTZBJSA-N		Interactions Focus chain K [auth B] Focus chain N [auth C] Focus chain O [auth D] Focus chain Q [auth E] Focus chain U [auth G] Focus chain W [auth H] Interactions & Density Focus chain K [auth B] Focus chain N [auth C] Focus chain O [auth D] Focus chain Q [auth E] Focus chain U [auth G] Focus chain W [auth H]
PEG Query on PEG Download Ideal Coordinates CCD File SDF format, chain T [auth F] MOL2 format, chain T [auth F] mmCIF format, chain T [auth F]	T [auth F]	DI(HYDROXYETHYL)ETHER C₄ H₁₀ O₃ MTHSVFCYNBDYFN-UHFFFAOYSA-N		Interactions Focus chain T [auth F] Interactions & Density Focus chain T [auth F]
PO4 Query on PO4 Download Ideal Coordinates CCD File SDF format, chain M [auth B] MOL2 format, chain M [auth B] mmCIF format, chain M [auth B]	M [auth B]	PHOSPHATE ION O₄ P NBIIXXVUZAFLBC-UHFFFAOYSA-K		Interactions Focus chain M [auth B] Interactions & Density Focus chain M [auth B]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain L [auth B] SDF format, chain R [auth E] MOL2 format, chain L [auth B] MOL2 format, chain R [auth E] mmCIF format, chain L [auth B] mmCIF format, chain R [auth E]	L [auth B], R [auth E]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain L [auth B] Focus chain R [auth E] Interactions & Density Focus chain L [auth B] Focus chain R [auth E]
EDO Query on EDO Download Ideal Coordinates CCD File SDF format, chain P [auth D] SDF format, chain V [auth G] SDF format, chain X [auth H] MOL2 format, chain P [auth D] MOL2 format, chain V [auth G] MOL2 format, chain X [auth H] mmCIF format, chain P [auth D] mmCIF format, chain V [auth G] mmCIF format, chain X [auth H]	P [auth D], V [auth G], X [auth H]	1,2-ETHANEDIOL C₂ H₆ O₂ LYCAIKOWRPUZTN-UHFFFAOYSA-N		Interactions Focus chain P [auth D] Focus chain V [auth G] Focus chain X [auth H] Interactions & Density Focus chain P [auth D] Focus chain V [auth G] Focus chain X [auth H]