8YG7 | pdb_00008yg7

HSA Copper Indomethacin Complex

PDB DOI: https://doi.org/10.2210/pdb8YG7/pdb

Classification: PROTEIN BINDING
Organism(s): Homo sapiens
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2024-02-26 Released: 2025-03-12
Deposition Author(s): Zhang, Z.L., Yang, F.
Funding Organization(s): National Natural Science Foundation of China (NSFC)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.09 Å
R-Value Free:
0.325 (Depositor), 0.325 (DCC)
R-Value Work:
0.262 (Depositor), 0.265 (DCC)
R-Value Observed:
0.265 (Depositor)

Starting Model: experimental
View more details

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

Human serum albumin-copper(II) agent-Indomethacin complex

Man, X.Y., Yang, F.

To be published.

Macromolecule Content

Total Structure Weight: 136.85 kDa
Atom Count: 9,420
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
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 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
IMN (Subject of Investigation/LOI) Query on IMN Download Ideal Coordinates CCD File SDF format, chain D [auth A] SDF format, chain L [auth I] MOL2 format, chain D [auth A] MOL2 format, chain L [auth I] mmCIF format, chain D [auth A] mmCIF format, chain L [auth I]	D [auth A], L [auth I]	INDOMETHACIN C₁₉ H₁₆ Cl N O₄ CGIGDMFJXJATDK-UHFFFAOYSA-N		Interactions Focus chain D [auth A] Focus chain L [auth I] Interactions & Density Focus chain D [auth A] Focus chain L [auth I]
A1D6U (Subject of Investigation/LOI) Query on A1D6U Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain K [auth I] MOL2 format, chain C [auth A] MOL2 format, chain K [auth I] mmCIF format, chain C [auth A] mmCIF format, chain K [auth I]	C [auth A], K [auth I]	~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine C₁₂ H₁₇ Cu N₄ S MMVNHFWKDOBSNA-JHGYPSGKSA-M		Interactions Focus chain C [auth A] Focus chain K [auth I] Interactions & Density Focus chain C [auth A] Focus chain K [auth I]
PLM Query on PLM Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain F [auth A] SDF format, chain G [auth A] SDF format, chain H [auth A] SDF format, chain I [auth A] SDF format, chain J [auth A] SDF format, chain M [auth I] SDF format, chain N [auth I] SDF format, chain O [auth I] SDF format, chain P [auth I] SDF format, chain Q [auth I] SDF format, chain R [auth I] MOL2 format, chain E [auth A] MOL2 format, chain F [auth A] MOL2 format, chain G [auth A] MOL2 format, chain H [auth A] MOL2 format, chain I [auth A] MOL2 format, chain J [auth A] MOL2 format, chain M [auth I] MOL2 format, chain N [auth I] MOL2 format, chain O [auth I] MOL2 format, chain P [auth I] MOL2 format, chain Q [auth I] MOL2 format, chain R [auth I] mmCIF format, chain E [auth A] mmCIF format, chain F [auth A] mmCIF format, chain G [auth A] mmCIF format, chain H [auth A] mmCIF format, chain I [auth A] mmCIF format, chain J [auth A] mmCIF format, chain M [auth I] mmCIF format, chain N [auth I] mmCIF format, chain O [auth I] mmCIF format, chain P [auth I] mmCIF format, chain Q [auth I] mmCIF format, chain R [auth I]	E [auth A] F [auth A] G [auth A] H [auth A] I [auth A] E [auth A], F [auth A], G [auth A], H [auth A], I [auth A], J [auth A], M [auth I], N [auth I], O [auth I], P [auth I], Q [auth I], R [auth I]	PALMITIC ACID C₁₆ H₃₂ O₂ IPCSVZSSVZVIGE-UHFFFAOYSA-N		Interactions Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain I [auth A] Focus chain J [auth A] Focus chain M [auth I] Focus chain N [auth I] Focus chain O [auth I] Focus chain P [auth I] Focus chain Q [auth I] Focus chain R [auth I] Interactions & Density Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain I [auth A] Focus chain J [auth A] Focus chain M [auth I] Focus chain N [auth I] Focus chain O [auth I] Focus chain P [auth I] Focus chain Q [auth I] Focus chain R [auth I]