6L4K

Human serum albumin-Palmitic acid-Cu compound

PDB DOI: https://doi.org/10.2210/pdb6L4K/pdb

Classification: PROTEIN BINDING
Organism(s): Homo sapiens
Expression System: Pichia kudriavzevii
Mutation(s): No

Deposited: 2019-10-17 Released: 2020-10-21
Deposition Author(s): Zhang, Z.L.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.09 Å
R-Value Free: 0.290
R-Value Work: 0.236
R-Value Observed: 0.238

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

A novel brain-tumor-inhibiting copper(II) compound based on a human serum albumin-cell penetrating peptide conjugate

Zhang, Z.L.

To be published.

Macromolecule Content

Total Structure Weight: 135.9 kDa
Atom Count: 9,106
Modelled Residue Count: 1,162
Deposited Residue Count: 1,162
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Serum albumin	A, B [auth I]	581	Homo sapiens	Mutation(s): 0 Gene Names: ALB, GIG20, GIG42, PRO0903, PRO1708, PRO2044, PRO2619, PRO2675, UNQ696/PRO1341
UniProt & NIH Common Fund Data Resources
Find proteins for P02768 (Homo sapiens) Explore P02768 Go to UniProtKB: P02768
PHAROS: P02768 GTEx: ENSG00000163631
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P02768
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
E5O (Subject of Investigation/LOI) Query on E5O Download Ideal Coordinates CCD File SDF format, chain I [auth A] MOL2 format, chain I [auth A]	I [auth A]	2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine C₁₁ H₁₆ Br Cu N₅ S NRJWSXGYYTZDRJ-JPMXUBAOSA-L		Interactions Focus chain I [auth A] Interactions & Density Focus chain I [auth A]
PLM Query on PLM Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain D [auth A] SDF format, chain E [auth A] SDF format, chain G [auth A] SDF format, chain H [auth A] SDF format, chain K [auth I] SDF format, chain L [auth I] SDF format, chain M [auth I] SDF format, chain N [auth I] SDF format, chain O [auth I] SDF format, chain F [auth A] SDF format, chain J [auth I] MOL2 format, chain C [auth A] MOL2 format, chain D [auth A] MOL2 format, chain E [auth A] MOL2 format, chain G [auth A] MOL2 format, chain H [auth A] MOL2 format, chain K [auth I] MOL2 format, chain L [auth I] MOL2 format, chain M [auth I] MOL2 format, chain N [auth I] MOL2 format, chain O [auth I] MOL2 format, chain F [auth A] MOL2 format, chain J [auth I]	C [auth A] D [auth A] E [auth A] F [auth A] G [auth A] C [auth A], D [auth A], E [auth A], F [auth A], G [auth A], H [auth A], J [auth I], K [auth I], L [auth I], M [auth I], N [auth I], O [auth I]	PALMITIC ACID C₁₆ H₃₂ O₂ IPCSVZSSVZVIGE-UHFFFAOYSA-N		Interactions Focus chain C [auth A] Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain J [auth I] Focus chain K [auth I] Focus chain L [auth I] Focus chain M [auth I] Focus chain N [auth I] Focus chain O [auth I] Interactions & Density Focus chain C [auth A] Focus chain D [auth A] Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain J [auth I] Focus chain K [auth I] Focus chain L [auth I] Focus chain M [auth I] Focus chain N [auth I] Focus chain O [auth I]