6HC7

The crystal structure of BSAP, a zinc aminopeptidase from Bacillus subtilis (medium resolution)

PDB DOI: https://doi.org/10.2210/pdb6HC7/pdb

Classification: METAL BINDING PROTEIN
Organism(s): Bacillus subtilis
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2018-08-14 Released: 2019-08-28
Deposition Author(s): Alhadeff, R., Lansky, S., Feinberg, H., Shoham, Y., Shoham, G.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.50 Å
R-Value Free: 0.251
R-Value Work: 0.178
R-Value Observed: 0.181

wwPDB Validation 3D Report Full Report

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

Re-refinement Note

This entry reflects an alternative modeling of the original data in: 6HC6

Literature

The crystal structure of BSAP, a zinc aminopeptidase from Bacillus subtilis (medium resolution)

Alhadeff, R., Faygenboim, R., Lansky, S., Rogoulenko, E., Cohen, T., Fundoiano-Hershcovitz, Y., Feinberg, H., Shoham, Y., Shoham, G.

To be published.

Macromolecule Content

Total Structure Weight: 149.62 kDa
Atom Count: 9,708
Modelled Residue Count: 1,218
Deposited Residue Count: 1,365
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Aminopeptidase Y (Arg Lys Leu preference)	A, B, C	455	Bacillus subtilis	Mutation(s): 0 Gene Names: B4417_2172
UniProt
Find proteins for P25152 (Bacillus subtilis (strain 168)) Explore P25152 Go to UniProtKB: P25152
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P25152
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 4 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain F [auth A] SDF format, chain G [auth A] SDF format, chain L [auth B] MOL2 format, chain F [auth A] MOL2 format, chain G [auth A] MOL2 format, chain L [auth B]	F [auth A], G [auth A], L [auth B]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain F [auth A] Focus chain G [auth A] Focus chain L [auth B] Interactions & Density Focus chain F [auth A] Focus chain G [auth A] Focus chain L [auth B]
ZN Query on ZN Download Ideal Coordinates CCD File SDF format, chain D [auth A] SDF format, chain E [auth A] SDF format, chain J [auth B] SDF format, chain K [auth B] SDF format, chain P [auth C] SDF format, chain Q [auth C] MOL2 format, chain D [auth A] MOL2 format, chain E [auth A] MOL2 format, chain J [auth B] MOL2 format, chain K [auth B] MOL2 format, chain P [auth C] MOL2 format, chain Q [auth C]	D [auth A] E [auth A] J [auth B] K [auth B] P [auth C] D [auth A], E [auth A], J [auth B], K [auth B], P [auth C], Q [auth C]	ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N		Interactions Focus chain D [auth A] Focus chain E [auth A] Focus chain J [auth B] Focus chain K [auth B] Focus chain P [auth C] Focus chain Q [auth C] Interactions & Density Focus chain D [auth A] Focus chain E [auth A] Focus chain J [auth B] Focus chain K [auth B] Focus chain P [auth C] Focus chain Q [auth C]
ACT Query on ACT Download Ideal Coordinates CCD File SDF format, chain H [auth A] SDF format, chain R [auth C] SDF format, chain M [auth B] MOL2 format, chain H [auth A] MOL2 format, chain R [auth C] MOL2 format, chain M [auth B]	H [auth A], M [auth B], R [auth C]	ACETATE ION C₂ H₃ O₂ QTBSBXVTEAMEQO-UHFFFAOYSA-M		Interactions Focus chain H [auth A] Focus chain M [auth B] Focus chain R [auth C] Interactions & Density Focus chain H [auth A] Focus chain M [auth B] Focus chain R [auth C]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain N [auth B] SDF format, chain T [auth C] SDF format, chain U [auth C] SDF format, chain I [auth A] SDF format, chain O [auth B] SDF format, chain S [auth C] MOL2 format, chain N [auth B] MOL2 format, chain T [auth C] MOL2 format, chain U [auth C] MOL2 format, chain I [auth A] MOL2 format, chain O [auth B] MOL2 format, chain S [auth C]	I [auth A] N [auth B] O [auth B] S [auth C] T [auth C] I [auth A], N [auth B], O [auth B], S [auth C], T [auth C], U [auth C]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain I [auth A] Focus chain N [auth B] Focus chain O [auth B] Focus chain S [auth C] Focus chain T [auth C] Focus chain U [auth C] Interactions & Density Focus chain I [auth A] Focus chain N [auth B] Focus chain O [auth B] Focus chain S [auth C] Focus chain T [auth C] Focus chain U [auth C]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.50 Å
R-Value Free: 0.251
R-Value Work: 0.178
R-Value Observed: 0.181
Space Group: P 6₃

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 225.833	α = 90
b = 225.833	β = 90
c = 42.654	γ = 120

Software Package:

Software Name	Purpose
PHENIX	refinement
DENZO	data reduction
SCALEPACK	data scaling
COMO	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2019-08-28

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2019-08-28
Type: Initial release
Version 1.1: 2024-01-17
Changes: Data collection, Database references, Derived calculations, Refinement description