4MX2

Crystal Structure of adenylosuccinate lyase from Leishmania donovani

PDB DOI: https://doi.org/10.2210/pdb4MX2/pdb

Classification: LYASE
Organism(s): Leishmania donovani
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2013-09-25 Released: 2014-04-16
Deposition Author(s): Wernimont, A.K., Loppnau, P., Dong, A., Krojer, T., Bradley, A., Bushell, S., von Delft, F., Robinson, D., Gilbert, I., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Hui, R., Mottaghi, K., Structural Genomics Consortium (SGC)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.90 Å
R-Value Free: 0.253
R-Value Work: 0.218
R-Value Observed: 0.220

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 adenylosuccinate lyase from Leishmania donovani

Wernimont, A.K., Loppnau, P., Dong, A., Krojer, T., Bradley, A., Bushell, S., von Delft, F., Robinson, D., Gilbert, I., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Hui, R., Mottaghi, K.

To be published.

Macromolecule Content

Total Structure Weight: 432.53 kDa
Atom Count: 29,460
Modelled Residue Count: 3,449
Deposited Residue Count: 3,840
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Adenylosuccinate lyase	A, B, C, D, E A, B, C, D, E, F, G, H	480	Leishmania donovani	Mutation(s): 0 Gene Names: ASL, LdBPK_040440.1
UniProt
Find proteins for A7LBL3 (Leishmania donovani) Explore A7LBL3 Go to UniProtKB: A7LBL3
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A7LBL3
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
AMP Query on AMP Download Ideal Coordinates CCD File SDF format, chain I [auth A] SDF format, chain J [auth B] SDF format, chain K [auth C] SDF format, chain M [auth D] SDF format, chain O [auth E] SDF format, chain P [auth F] SDF format, chain Q [auth G] SDF format, chain S [auth H] MOL2 format, chain I [auth A] MOL2 format, chain J [auth B] MOL2 format, chain K [auth C] MOL2 format, chain M [auth D] MOL2 format, chain O [auth E] MOL2 format, chain P [auth F] MOL2 format, chain Q [auth G] MOL2 format, chain S [auth H]	I [auth A] J [auth B] K [auth C] M [auth D] O [auth E] I [auth A], J [auth B], K [auth C], M [auth D], O [auth E], P [auth F], Q [auth G], S [auth H]	ADENOSINE MONOPHOSPHATE C₁₀ H₁₄ N₅ O₇ P UDMBCSSLTHHNCD-KQYNXXCUSA-N		Interactions Focus chain I [auth A] Focus chain J [auth B] Focus chain K [auth C] Focus chain M [auth D] Focus chain O [auth E] Focus chain P [auth F] Focus chain Q [auth G] Focus chain S [auth H] Interactions & Density Focus chain I [auth A] Focus chain J [auth B] Focus chain K [auth C] Focus chain M [auth D] Focus chain O [auth E] Focus chain P [auth F] Focus chain Q [auth G] Focus chain S [auth H]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain L [auth C] SDF format, chain R [auth G] SDF format, chain T [auth H] MOL2 format, chain L [auth C] MOL2 format, chain R [auth G] MOL2 format, chain T [auth H]	L [auth C], R [auth G], T [auth H]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain L [auth C] Focus chain R [auth G] Focus chain T [auth H] Interactions & Density Focus chain L [auth C] Focus chain R [auth G] Focus chain T [auth H]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain N [auth E] MOL2 format, chain N [auth E]	N [auth E]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain N [auth E] Interactions & Density Focus chain N [auth E]