Het-PDB Navi2 (PDB: 3IKG)

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Ligands
Code	Name		Style	Show	Link
J8Z	(2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate				PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 3IKG

Code :

3IKG PDBj RCSB PDB PDBe

Header :

ISOMERASE

Title :

Structure-Based Design of Novel PIN1 Inhibitors (I)

Release Data :

2009-09-22

Compound :

mol_id	molecule	chains	synonym
1	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	A,B	Rotamase Pin1, PPIase Pin1
	ec: 5.2.1.8 fragment: UNP residues 45-163, PIN1 PPIASE DOMAIN mutation: K77Q,K82Q

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:562)
	gene: PIN1

Authors :

Parge, H., Ferre, R.A., Greasley, S., Matthews, D.

Keywords :

SBDD, PPIase, Cell cycle, Isomerase, Small Molecule, Nucleus, Phosphoprotein, Rotamase, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE

Exp. method :

X-RAY DIFFRACTION ( 1.86 Å )

Citation :

Structure-based design of novel human Pin1 inhibitors (I).

Guo, C.,Hou, X.,Dong, L. et al.
(2009) Bioorg.Med.Chem.Lett. 19 : 5613 - 5616

Chain :

A, B

UniProt :

Q13526 (PIN1_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
[protein]-peptidylproline (omega=180) = [protein]- peptidylproline (omega=0)	5.2.1.8	PubMed:21497122, PubMed:23623683, PubMed:29686383
	-	PubMed:21497122, PubMed:23623683, PubMed:29686383

PDB ID: 3IKG